2-(3-chlorophenyl)pent-4-enenitrile

C11H10ClN — CID 14326072

IUPAC2-(3-chlorophenyl)pent-4-enenitrile
SMILESC=CCC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClN/c1-2-4-10(8-13)9-5-3-6-11(12)7-9/h2-3,5-7,10H,1,4H2
InChIKeyKELZTVDZJHXILU-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-chlorophenyl)pent-4-enenitrile

2-(3-chlorophenyl)pent-4-enenitrile (PubChem CID 14326072) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)pent-4-enenitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)pent-4-enenitrile
PubChem CID14326072
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name2-(3-chlorophenyl)pent-4-enenitrile
SMILESC=CCC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClN/c1-2-4-10(8-13)9-5-3-6-11(12)7-9/h2-3,5-7,10H,1,4H2
InChIKeyKELZTVDZJHXILU-UHFFFAOYSA-N
XLogP3.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.52
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

(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
(1R)-1-(3-chlorophenyl)but-3-en-1-amine
CID 12984122
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
CID 61380748
(2R)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191859
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860
N-benzyl-1-(3-chlorophenyl)but-3-en-1-amine
CID 102395596
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
[(3-chlorophenyl)-cyanomethyl]azanium chloride
CID 11206472
2-(3-chlorophenyl)-3-ethoxy-3-hydroxypropanenitrile
CID 155141077
2-(3-chlorophenyl)-3-methylhexanenitrile
CID 107886154

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)pent-4-enenitrile?
The IUPAC name of 2-(3-chlorophenyl)pent-4-enenitrile (CID 14326072) is 2-(3-chlorophenyl)pent-4-enenitrile.
What is the SMILES notation for 2-(3-chlorophenyl)pent-4-enenitrile?
The canonical SMILES for 2-(3-chlorophenyl)pent-4-enenitrile is C=CCC(C#N)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)pent-4-enenitrile?
The InChIKey is KELZTVDZJHXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-2-4-10(8-13)9-5-3-6-11(12)7-9/h2-3,5-7,10H,1,4H2.
What are the key properties of 2-(3-chlorophenyl)pent-4-enenitrile?
2-(3-chlorophenyl)pent-4-enenitrile has a molecular weight of 191.66 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)pent-4-enenitrile is sourced from PubChem (CID 14326072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).