2-[(E)-2-phenylethenyl]pentanenitrile

C13H15N — CID 102025901

IUPAC2-[(E)-2-phenylethenyl]pentanenitrile
SMILESCCCC(C#N)/C=C/c1ccccc1
InChIInChI=1S/C13H15N/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h3-5,7-10,13H,2,6H2,1H3/b10-9+
InChIKeyQUHGRJMNMJFSQK-MDZDMXLPSA-N
MW185.27 g/mol
LogP3.64
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]pentanenitrile

2-[(E)-2-phenylethenyl]pentanenitrile (PubChem CID 102025901) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]pentanenitrile.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]pentanenitrile
PubChem CID102025901
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-[(E)-2-phenylethenyl]pentanenitrile
SMILESCCCC(C#N)/C=C/c1ccccc1
InChIInChI=1S/C13H15N/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h3-5,7-10,13H,2,6H2,1H3/b10-9+
InChIKeyQUHGRJMNMJFSQK-MDZDMXLPSA-N
XLogP3.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bromomethyl)hex-1-enylbenzene
CID 91228511
2-[(E)-2-(4-methylphenyl)ethenyl]-5-phenylpent-4-ynenitrile
CID 102516958
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
2-(N-methylanilino)-4-phenylbut-3-enenitrile
CID 71339766
(1-cyano-3-phenylprop-2-enyl) diethyl phosphate
CID 71420190
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
CID 91112579
CID 91112579

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]pentanenitrile?
The IUPAC name of 2-[(E)-2-phenylethenyl]pentanenitrile (CID 102025901) is 2-[(E)-2-phenylethenyl]pentanenitrile.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]pentanenitrile?
The canonical SMILES for 2-[(E)-2-phenylethenyl]pentanenitrile is CCCC(C#N)/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]pentanenitrile?
The InChIKey is QUHGRJMNMJFSQK-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H15N/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h3-5,7-10,13H,2,6H2,1H3/b10-9+.
What are the key properties of 2-[(E)-2-phenylethenyl]pentanenitrile?
2-[(E)-2-phenylethenyl]pentanenitrile has a molecular weight of 185.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]pentanenitrile is sourced from PubChem (CID 102025901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).