3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile

C17H12N2O — CID 2243607

IUPAC3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
SMILESCOc1ccccc1/C=C(\C#N)c1cccc(C#N)c1
InChIInChI=1S/C17H12N2O/c1-20-17-8-3-2-6-15(17)10-16(12-19)14-7-4-5-13(9-14)11-18/h2-10H,1H3/b16-10+
InChIKeyQVDNTKRHBFGZMO-MHWRWJLKSA-N
MW260.30 g/mol
LogP3.63
Rot. Bonds3

About 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile

3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile (PubChem CID 2243607) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
PubChem CID2243607
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
SMILESCOc1ccccc1/C=C(\C#N)c1cccc(C#N)c1
InChIInChI=1S/C17H12N2O/c1-20-17-8-3-2-6-15(17)10-16(12-19)14-7-4-5-13(9-14)11-18/h2-10H,1H3/b16-10+
InChIKeyQVDNTKRHBFGZMO-MHWRWJLKSA-N
XLogP3.63
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile 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

(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile
CID 121493676
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
3-[1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 4304437
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
(E)-2-(3-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 126397411
3-[(Z)-1-cyano-2-(1H-pyrrol-2-yl)ethenyl]benzonitrile
CID 6240680
3-(2-bromo-4,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
CID 2865718
2-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 2975737
3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 71438096
(E)-2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 912018

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile?
The IUPAC name of 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile (CID 2243607) is 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile?
The canonical SMILES for 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile is COc1ccccc1/C=C(\C#N)c1cccc(C#N)c1.
What is the InChIKey of 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile?
The InChIKey is QVDNTKRHBFGZMO-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H12N2O/c1-20-17-8-3-2-6-15(17)10-16(12-19)14-7-4-5-13(9-14)11-18/h2-10H,1H3/b16-10+.
What are the key properties of 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile?
3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 2243607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).