2-oxo-1,3-dihydroindole-5-carbonitrile

C9H6N2O — CID 2773346

IUPAC2-oxo-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
InChIKeyNZOSLRYUVHMXTQ-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.05
Rot. Bonds

About 2-oxo-1,3-dihydroindole-5-carbonitrile

2-oxo-1,3-dihydroindole-5-carbonitrile (PubChem CID 2773346) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-1,3-dihydroindole-5-carbonitrile
PubChem CID2773346
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name2-oxo-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
InChIKeyNZOSLRYUVHMXTQ-UHFFFAOYSA-N
XLogP1.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxindole
CID 321710
3-Methyloxindole
CID 150923
2-(2-Oxoindolin-3-ylidene)malononitrile
CID 244537
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroindole-5-carbonitrile?
The IUPAC name of 2-oxo-1,3-dihydroindole-5-carbonitrile (CID 2773346) is 2-oxo-1,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 2-oxo-1,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 2-oxo-1,3-dihydroindole-5-carbonitrile is N#Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-1,3-dihydroindole-5-carbonitrile?
The InChIKey is NZOSLRYUVHMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12).
What are the key properties of 2-oxo-1,3-dihydroindole-5-carbonitrile?
2-oxo-1,3-dihydroindole-5-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 2773346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).