4-[(2-ethenylphenyl)iminomethyl]benzonitrile

C16H12N2 — CID 129051370

IUPAC4-[(2-ethenylphenyl)iminomethyl]benzonitrile
SMILESC=Cc1ccccc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C16H12N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h2-10,12H,1H2/b18-12+
InChIKeyWYNRWIAHAWLPNG-LDADJPATSA-N
MW232.29 g/mol
LogP3.95
Rot. Bonds3

About 4-[(2-ethenylphenyl)iminomethyl]benzonitrile

4-[(2-ethenylphenyl)iminomethyl]benzonitrile (PubChem CID 129051370) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[(2-ethenylphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-ethenylphenyl)iminomethyl]benzonitrile
PubChem CID129051370
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4-[(2-ethenylphenyl)iminomethyl]benzonitrile
SMILESC=Cc1ccccc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C16H12N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h2-10,12H,1H2/b18-12+
InChIKeyWYNRWIAHAWLPNG-LDADJPATSA-N
XLogP3.95
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Benzylideneaniline
CID 10858
N-Phenylbenzimidoyl cyanide
CID 231999
N-benzylidene-4-methylaniline
CID 75276
N-(4-Methylbenzylidene)-P-toluidine
CID 525721
Morphanthridine
CID 10878016
N,N'-Terephthalylidene-bis(4-fluoroaniline)
CID 321189
N-Cinnamylideneaniline
CID 5375816
N-(4-Methylbenzylidene)aniline
CID 525732
2-[(Z)-[(Z)-(2-aminophenyl)methylidenehydrazinylidene]methyl]aniline
CID 5565760
2-[(4-Bromobenzylidene)amino]benzonitrile
CID 568450
4,4'-{benzene-1,4-diylbis[(E)methylylidenenitrilo]}dibenzonitrile
CID 794690
(E)-N-Phenyl-1-(4-(trifluoromethyl)phenyl)methanimine
CID 11747016

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethenylphenyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(2-ethenylphenyl)iminomethyl]benzonitrile (CID 129051370) is 4-[(2-ethenylphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(2-ethenylphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(2-ethenylphenyl)iminomethyl]benzonitrile is C=Cc1ccccc1/N=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-ethenylphenyl)iminomethyl]benzonitrile?
The InChIKey is WYNRWIAHAWLPNG-LDADJPATSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-15-5-3-4-6-16(15)18-12-14-9-7-13(11-17)8-10-14/h2-10,12H,1H2/b18-12+.
What are the key properties of 4-[(2-ethenylphenyl)iminomethyl]benzonitrile?
4-[(2-ethenylphenyl)iminomethyl]benzonitrile has a molecular weight of 232.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenylphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 129051370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).