4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile

C9H8N2O — CID 10261369

IUPAC4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile
SMILESN#Cc1cc2c([nH]1)CCCC2=O
InChIInChI=1S/C9H8N2O/c10-5-6-4-7-8(11-6)2-1-3-9(7)12/h4,11H,1-3H2
InChIKeyYDQPTVNJPCWFCL-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.41
Rot. Bonds

About 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile

4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile (PubChem CID 10261369) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile
PubChem CID10261369
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile
SMILESN#Cc1cc2c([nH]1)CCCC2=O
InChIInChI=1S/C9H8N2O/c10-5-6-4-7-8(11-6)2-1-3-9(7)12/h4,11H,1-3H2
InChIKeyYDQPTVNJPCWFCL-UHFFFAOYSA-N
XLogP1.41
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 28811865
3-(2-methylpropyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 130471182
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36811908
4-bromo-8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CID 130038627
4-iodo-8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CID 130038705
1-methoxy-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 15947347
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 154865870

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile?
The IUPAC name of 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile (CID 10261369) is 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile.
What is the SMILES notation for 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile?
The canonical SMILES for 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile is N#Cc1cc2c([nH]1)CCCC2=O.
What is the InChIKey of 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile?
The InChIKey is YDQPTVNJPCWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-5-6-4-7-8(11-6)2-1-3-9(7)12/h4,11H,1-3H2.
What are the key properties of 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile?
4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,5,6,7-tetrahydroindole-2-carbonitrile is sourced from PubChem (CID 10261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).