3-phenylpent-4-enenitrile

C11H11N — CID 14767512

IUPAC3-phenylpent-4-enenitrile
SMILESC=CC(CC#N)c1ccccc1
InChIInChI=1S/C11H11N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,10H,1,8H2
InChIKeyYOMPEGCLVFREGH-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.87
Rot. Bonds3

About 3-phenylpent-4-enenitrile

3-phenylpent-4-enenitrile (PubChem CID 14767512) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-phenylpent-4-enenitrile.

Molecular Properties

Compound Name3-phenylpent-4-enenitrile
PubChem CID14767512
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-phenylpent-4-enenitrile
SMILESC=CC(CC#N)c1ccccc1
InChIInChI=1S/C11H11N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,10H,1,8H2
InChIKeyYOMPEGCLVFREGH-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(2-phenylbut-3-enyl)stannane
CID 67812779
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
3-(1-phenylethylamino)pent-4-enenitrile
CID 67324977
(2R)-2-phenylbut-3-enenitrile
CID 92980223
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
5-phenylhepta-1,6-dien-3-amine
CID 21390037
(3S)-3-phenylpent-4-enoic acid
CID 92981953
3-benzoylpent-4-enenitrile
CID 102001574
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439
3,4-diphenylbutanenitrile
CID 57019380
3-(4-hydroxyphenyl)-3-phenylpropanenitrile
CID 150364879

Frequently Asked Questions

What is the IUPAC name of 3-phenylpent-4-enenitrile?
The IUPAC name of 3-phenylpent-4-enenitrile (CID 14767512) is 3-phenylpent-4-enenitrile.
What is the SMILES notation for 3-phenylpent-4-enenitrile?
The canonical SMILES for 3-phenylpent-4-enenitrile is C=CC(CC#N)c1ccccc1.
What is the InChIKey of 3-phenylpent-4-enenitrile?
The InChIKey is YOMPEGCLVFREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,10H,1,8H2.
What are the key properties of 3-phenylpent-4-enenitrile?
3-phenylpent-4-enenitrile has a molecular weight of 157.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpent-4-enenitrile is sourced from PubChem (CID 14767512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).