2-(4-pent-1-en-2-ylphenyl)benzonitrile

C18H17N — CID 143621524

IUPAC2-(4-pent-1-en-2-ylphenyl)benzonitrile
SMILESC=C(CCC)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H17N/c1-3-6-14(2)15-9-11-16(12-10-15)18-8-5-4-7-17(18)13-19/h4-5,7-12H,2-3,6H2,1H3
InChIKeySEBDLSUHQRZPHI-UHFFFAOYSA-N
MW247.34 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-pent-1-en-2-ylphenyl)benzonitrile

2-(4-pent-1-en-2-ylphenyl)benzonitrile (PubChem CID 143621524) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-pent-1-en-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(4-pent-1-en-2-ylphenyl)benzonitrile
PubChem CID143621524
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(4-pent-1-en-2-ylphenyl)benzonitrile
SMILESC=C(CCC)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H17N/c1-3-6-14(2)15-9-11-16(12-10-15)18-8-5-4-7-17(18)13-19/h4-5,7-12H,2-3,6H2,1H3
InChIKeySEBDLSUHQRZPHI-UHFFFAOYSA-N
XLogP5.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-pent-1-en-2-ylphenyl)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

cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621523
pent-1-en-2-ylbenzene
CID 521761
2-[4-(dipropylamino)phenyl]benzonitrile
CID 118401021
ethyl 3-[4-(2-cyanophenyl)phenyl]prop-2-ynoate
CID 11108581
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
2-[3-(hydroxymethyl)-4-propoxyphenyl]benzonitrile
CID 122558682
2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile
CID 172797164
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
CID 141078300
2-[4-[(1S)-1-bromoethyl]phenyl]benzonitrile
CID 124563961

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The IUPAC name of 2-(4-pent-1-en-2-ylphenyl)benzonitrile (CID 143621524) is 2-(4-pent-1-en-2-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The canonical SMILES for 2-(4-pent-1-en-2-ylphenyl)benzonitrile is C=C(CCC)c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The InChIKey is SEBDLSUHQRZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-6-14(2)15-9-11-16(12-10-15)18-8-5-4-7-17(18)13-19/h4-5,7-12H,2-3,6H2,1H3.
What are the key properties of 2-(4-pent-1-en-2-ylphenyl)benzonitrile?
2-(4-pent-1-en-2-ylphenyl)benzonitrile has a molecular weight of 247.34 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-1-en-2-ylphenyl)benzonitrile is sourced from PubChem (CID 143621524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).