3-anilino-2-oxo-1H-indole-3-carbonitrile

C15H11N3O — CID 4593581

IUPAC3-anilino-2-oxo-1H-indole-3-carbonitrile
SMILESN#CC1(Nc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O/c16-10-15(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)19/h1-9,18H,(H,17,19)
InChIKeyAUUPJFHVBZXKHL-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.47
Rot. Bonds2

About 3-anilino-2-oxo-1H-indole-3-carbonitrile

3-anilino-2-oxo-1H-indole-3-carbonitrile (PubChem CID 4593581) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-anilino-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name3-anilino-2-oxo-1H-indole-3-carbonitrile
PubChem CID4593581
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-anilino-2-oxo-1H-indole-3-carbonitrile
SMILESN#CC1(Nc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O/c16-10-15(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)19/h1-9,18H,(H,17,19)
InChIKeyAUUPJFHVBZXKHL-UHFFFAOYSA-N
XLogP2.47
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-anilino-2-oxo-1H-indole-3-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

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
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
2-Indolinone, 3-(phenylimino)-
CID 135442567
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
3-(3,4-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153364
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of 3-anilino-2-oxo-1H-indole-3-carbonitrile (CID 4593581) is 3-anilino-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for 3-anilino-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for 3-anilino-2-oxo-1H-indole-3-carbonitrile is N#CC1(Nc2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-anilino-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is AUUPJFHVBZXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-10-15(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)19/h1-9,18H,(H,17,19).
What are the key properties of 3-anilino-2-oxo-1H-indole-3-carbonitrile?
3-anilino-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 4593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).