4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile

C19H18N2 — CID 139780621

IUPAC4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
SMILESC/C=C/CCc1ccc(/C=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2/c1-2-3-4-5-16-6-8-18(9-7-16)15-21-19-12-10-17(14-20)11-13-19/h2-3,6-13,15H,4-5H2,1H3/b3-2+,21-15+
InChIKeyVBQJUJWZFIXEQF-YGOYCJOLSA-N
MW274.37 g/mol
LogP4.82
Rot. Bonds5

About 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile

4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile (PubChem CID 139780621) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
PubChem CID139780621
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
SMILESC/C=C/CCc1ccc(/C=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2/c1-2-3-4-5-16-6-8-18(9-7-16)15-21-19-12-10-17(14-20)11-13-19/h2-3,6-13,15H,4-5H2,1H3/b3-2+,21-15+
InChIKeyVBQJUJWZFIXEQF-YGOYCJOLSA-N
XLogP4.82
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 139780616
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165
N-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 139780598
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
CID 139780766
1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
[4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate
CID 4623457
4-[4-[8-[4-[[4-[8-[4-[[4-[8-[4-(4-cyanophenyl)phenoxy]octoxy]phenyl]methylideneamino]phenoxy]octoxy]phenyl]iminomethyl]phenoxy]octoxy]phenyl]benzonitrile
CID 100997509

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile?
The IUPAC name of 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile (CID 139780621) is 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile.
What is the SMILES notation for 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile?
The canonical SMILES for 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile is C/C=C/CCc1ccc(/C=N/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile?
The InChIKey is VBQJUJWZFIXEQF-YGOYCJOLSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-3-4-5-16-6-8-18(9-7-16)15-21-19-12-10-17(14-20)11-13-19/h2-3,6-13,15H,4-5H2,1H3/b3-2+,21-15+.
What are the key properties of 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile?
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile has a molecular weight of 274.37 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile is sourced from PubChem (CID 139780621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).