3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile

C19H14N4 — CID 71101670

IUPAC3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile
SMILESC/C(=C\Nc1ccc(C#N)cc1)c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C19H14N4/c1-13(11-22-16-5-2-14(9-20)3-6-16)18-12-23-19-7-4-15(10-21)8-17(18)19/h2-8,11-12,22-23H,1H3/b13-11+
InChIKeyWAMCUWHTUHGLIW-ACCUITESSA-N
MW298.35 g/mol
LogP4.38
Rot. Bonds3

About 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile

3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile (PubChem CID 71101670) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile
PubChem CID71101670
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile
SMILESC/C(=C\Nc1ccc(C#N)cc1)c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C19H14N4/c1-13(11-22-16-5-2-14(9-20)3-6-16)18-12-23-19-7-4-15(10-21)8-17(18)19/h2-8,11-12,22-23H,1H3/b13-11+
InChIKeyWAMCUWHTUHGLIW-ACCUITESSA-N
XLogP4.38
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-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-acetyl-1H-indole-5-carbonitrile
CID 28505
3-[(E)-but-2-enoyl]-1H-indole-5-carbonitrile
CID 11333292
3-(2,2-dimethylpropanoyl)-1H-indole-5-carbonitrile
CID 103942640
3-[(E)-1-methylsulfanylbut-1-en-2-yl]-1H-indole-5-carbonitrile
CID 142472389
3-(3-fluoro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919798
3-(2,2-dimethylbutanoyl)-1H-indole-5-carbonitrile
CID 114015915
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-(4-methylsulfanylbenzoyl)-1H-indole-5-carbonitrile
CID 107919821
3-(2,3-difluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919907
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 54771579
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
CID 107919886

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile (CID 71101670) is 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile is C/C(=C\Nc1ccc(C#N)cc1)c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile?
The InChIKey is WAMCUWHTUHGLIW-ACCUITESSA-N. The full InChI is InChI=1S/C19H14N4/c1-13(11-22-16-5-2-14(9-20)3-6-16)18-12-23-19-7-4-15(10-21)8-17(18)19/h2-8,11-12,22-23H,1H3/b13-11+.
What are the key properties of 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile?
3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(4-cyanoanilino)prop-1-en-2-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 71101670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).