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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2014-10-08 15:57:18 UTC

Update Date

2023-02-21 17:30:34 UTC

HMDB ID

HMDB0061918

Secondary Accession Numbers

HMDB61918

Metabolite Identification

Common Name

1,3-Dihydro-(2H)-indol-2-one

Description

1,3-Dihydro-(2H)-indol-2-one, also known as 2-oxindole or 2-indolinone, belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. 1,3-Dihydro-(2H)-indol-2-one is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on 1,3-Dihydro-(2H)-indol-2-one.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
1,3-Dihydroindol-2-one	ChEBI
2-Indolinone	ChEBI
2-Oxindole	ChEBI
Oxindole	ChEBI
1,3-Dihydro-2H-indol-2-one	HMDB
2,3-Dihydro-1H-indol-2-one	HMDB
2-Indolone	HMDB
2-oxo-2,3-Dihydroindole	HMDB
2-Oxoindole	HMDB
2-Oxoindoline	HMDB
indol-2(3H)-One	HMDB
Indoline-2-one	HMDB
Oxindol	HMDB

Chemical Formula

C₈H₇NO

Average Molecular Weight

133.1473

Monoisotopic Molecular Weight

133.052763851

IUPAC Name

2,3-dihydro-1H-indol-2-one

Traditional Name

oxindole

CAS Registry Number

59-48-3

SMILES

O=C1CC2=CC=CC=C2N1

InChI Identifier

InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)

InChI Key

JYGFTBXVXVMTGB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolines

Direct Parent

Indolines

Alternative Parents

Substituents

Dihydroindole
Benzenoid
Carboxamide group
Lactam
Secondary carboxylic acid amide
Azacycle
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

gamma-lactam (CHEBI:31697 )
indolinone (CHEBI:31697 )
an indole derivative (CPD-6361 )

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.07 g/L	ALOGPS
logP	1.07	ChemAxon
pKa (Strongest Acidic)	12.14	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.1 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	39.58 m³·mol⁻¹	ChemAxon
Polarizability	13.7 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	126.765	31661259
DarkChem	[M-H]-	122.99	31661259
DeepCCS	[M+H]+	123.269	30932474
DeepCCS	[M-H]-	119.631	30932474
DeepCCS	[M-2H]-	156.911	30932474
DeepCCS	[M+Na]+	131.963	30932474
AllCCS	[M+H]+	126.8	32859911
AllCCS	[M+H-H2O]+	121.9	32859911
AllCCS	[M+NH4]+	131.3	32859911
AllCCS	[M+Na]+	132.7	32859911
AllCCS	[M-H]-	125.2	32859911
AllCCS	[M+Na-2H]-	126.4	32859911
AllCCS	[M+HCOO]-	127.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1,3-Dihydro-(2H)-indol-2-one	O=C1CC2=CC=CC=C2N1	2562.4	Standard polar	33892256
1,3-Dihydro-(2H)-indol-2-one	O=C1CC2=CC=CC=C2N1	1434.7	Standard non polar	33892256
1,3-Dihydro-(2H)-indol-2-one	O=C1CC2=CC=CC=C2N1	1484.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1,3-Dihydro-(2H)-indol-2-one,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1514.8	Semi standard non polar	33892256
1,3-Dihydro-(2H)-indol-2-one,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1459.2	Standard non polar	33892256
1,3-Dihydro-(2H)-indol-2-one,1TMS,isomer #1	C[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1810.8	Standard polar	33892256
1,3-Dihydro-(2H)-indol-2-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1746.9	Semi standard non polar	33892256
1,3-Dihydro-(2H)-indol-2-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1708.0	Standard non polar	33892256
1,3-Dihydro-(2H)-indol-2-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)CC2=CC=CC=C21	1955.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one GC-MS (Non-derivatized) - 70eV, Positive	splash10-0pc0-5900000000-f6bbfe5eb991c30cf08f	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one GC-MS (1 TMS) - 70eV, Positive	splash10-0fkc-9700000000-4e905c0b34e3718cf778	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one LC-ESI-QTOF 10V, positive-QTOF	splash10-001i-0900000000-428745b10de989a51f63	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one LC-ESI-QTOF 20V, positive-QTOF	splash10-001i-0900000000-8c4d3af4ee24592447f3	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one LC-ESI-QTOF 30V, positive-QTOF	splash10-001i-0900000000-f4245f701b184b14b01f	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one LC-ESI-QTOF 40V, positive-QTOF	splash10-001i-0900000000-fc6e7804b5063a20c33e	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one LC-ESI-QTOF 19V, positive-QTOF	splash10-001i-0900000000-a8b4ade540a6eab42052	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 20V, Positive-QTOF	splash10-001i-0900000000-8c4d3af4ee24592447f3	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 0V, Positive-QTOF	splash10-001i-0900000000-ec834272fbe5a83926b8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 20V, Positive-QTOF	splash10-0a7i-9600000000-85c97117b121fd7428f5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Positive-QTOF	splash10-001i-5900000000-a8596bbcdff97c32863d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Positive-QTOF	splash10-001j-8900000000-9dfcc1ae547629177750	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Positive-QTOF	splash10-001i-0900000000-428745b10de989a51f63	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 30V, Positive-QTOF	splash10-001i-0900000000-f4245f701b184b14b01f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 0V, Positive-QTOF	splash10-001i-0900000000-2d61e357d39d4519cb2a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 40V, Positive-QTOF	splash10-004i-9000000000-b5c3d9e9273c6e9796e7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 30V, Positive-QTOF	splash10-00ke-9100000000-47a1fca0d94b913cf4b5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 40V, Positive-QTOF	splash10-001i-0900000000-fc6e7804b5063a20c33e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 40V, Positive-QTOF	splash10-004i-9000000000-949b7ddeeac8fcf3f931	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 30V, Positive-QTOF	splash10-004i-9400000000-039f74389104c32c587c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Positive-QTOF	splash10-001i-0900000000-e322528168e077448208	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Positive-QTOF	splash10-001i-0900000000-8141ba8a6cd5d97d22cb	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 20V, Positive-QTOF	splash10-001i-0900000000-65e56944ffb19b08f9fe	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 40V, Positive-QTOF	splash10-004i-9600000000-d95cad7618cc4d53c3f3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 10V, Negative-QTOF	splash10-001i-0900000000-a20633b03070d7ae5532	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 20V, Negative-QTOF	splash10-001i-0900000000-653836eaec8cafcaf481	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,3-Dihydro-(2H)-indol-2-one 40V, Negative-QTOF	splash10-0udi-0900000000-a8b87f07ff7140fbebad	2017-10-06	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-21	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Saliva
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	24421258	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

284794

KEGG Compound ID

C12312

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

321710

PDB ID

Not Available

ChEBI ID

31697

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Haun M, Pereira MF, Hoffmann ME, Joyas A, Campos V, Filardi LD, de Castro SL, Duran N: Bacterial chemistry. VI. Biological activities and cytotoxicity of 1,3-dihydro-2H-indol-2-one derivatives. Biol Res. 1992;25(1):21-5. [PubMed:1341576 ]
Claudine Serradeil-Le-Gal, 'Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same.' U.S. Patent US20030109545, issued June 12, 2003. [Link]
Venkatasubramanian Tarur, Dhananjay Sathe, Harish Mondkar, Rajesh Bhopalkar, Samadhan Patil, 'Process for the preparation of 4-(2-dipropylaminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride.' U.S. Patent US20050159605, issued July 21, 2005. [Link]
Toshihito Kumagai, Takeshi Kuwada, Tsuyoshi Shibata, Masato Hayashi, Yuri Fujisawa, Yoshinori Sekiguchi, '1,3-Dihydro-2h-indol-2-one derivative.' U.S. Patent US20060276449, issued December 07, 2006. [Link]
Jozsef Neu, Jozsef Torley, Sandor Garadnay, 'NOVEL PROCESS FOR PRODUCTION OF 5--6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE (ZIPRASIDONE).' U.S. Patent US20090111988, issued April 30, 2009. [Link]
Loic FOULON, Laurent GOULLIEUX, Brigitte POUZET, Claudine SERRADEIL-LE GAL, Gerard VALETTE, 'NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF.' U.S. Patent US20110059955, issued March 10, 2011. [Link]
Richard Roux, Claudine Serradeil-Le Gal, Jean Wagnon, '1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them.' U.S. Patent US06864277, issued March 08, 2005. [Link]
Venkatasubramanian Radhakrishna Tarur, Dhananjay Govind Sathe, Harish Kashinath Mondkar, Rajesh Ganpat Bhopalkar, Samadhan Daulat Patil, U.S. Patent US07378439, issued May 27, 2008. [Link]
Richard Roux, Claudine Serradeil-le Gal, Jean Wagnon, '1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them.' U.S. Patent US07425566, issued September 16, 2008. [Link]
Toshihito Kumagai, Takeshi Kuwada, Tsuyoshi Shibata, Masato Hayashi, Yuri Fujisawa, Yoshinori Sekiguchi, '1,3-dihydro-2H-indol-2-one derivative.' U.S. Patent US07528124, issued May 05, 2009. [Link]

Showing metabocard for 1,3-Dihydro-(2H)-indol-2-one (HMDB0061918)

MOL for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

3D MOL for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

3D SDF for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

3D-SDF for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

PDB for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

3D PDB for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

SMILES for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

INCHI for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

Structure for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

3D Structure for HMDB0061918 (1,3-Dihydro-(2H)-indol-2-one)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra