4-cyclohexylpent-3-enenitrile

C11H17N — CID 118480792

IUPAC4-cyclohexylpent-3-enenitrile
SMILESCC(=CCC#N)C1CCCCC1
InChIInChI=1S/C11H17N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-8H2,1H3
InChIKeyLVNCBYAPWANHIQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.43
Rot. Bonds2

About 4-cyclohexylpent-3-enenitrile

4-cyclohexylpent-3-enenitrile (PubChem CID 118480792) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-cyclohexylpent-3-enenitrile.

Molecular Properties

Compound Name4-cyclohexylpent-3-enenitrile
PubChem CID118480792
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-cyclohexylpent-3-enenitrile
SMILESCC(=CCC#N)C1CCCCC1
InChIInChI=1S/C11H17N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-8H2,1H3
InChIKeyLVNCBYAPWANHIQ-UHFFFAOYSA-N
XLogP3.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.43
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

4-cyclohexylpentanenitrile;4-cyclohexylpent-3-enenitrile
CID 158083812
4-cyclohexylpent-2-enenitrile;4-cyclohexylpent-3-enenitrile
CID 118556989
4-cyclohexylpent-3-en-1-amine
CID 76996947
5-bromopent-2-en-2-ylcyclopentane
CID 72698250
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
CID 87467219
[(E)-3-cyclohexylbut-2-enyl] methyl carbonate
CID 11031157
[(E)-4-cyclohexylpent-3-enyl]benzene
CID 14982517
[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
CID 11403548
3-cyclooctyl-3-oxopropanenitrile
CID 15933104
3-cyclodecyl-3-oxopropanenitrile
CID 138502236
(E)-3-cyclohexylbut-2-enoic acid
CID 6537440
3-cyclohexyliminopropanenitrile
CID 54514865

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpent-3-enenitrile?
The IUPAC name of 4-cyclohexylpent-3-enenitrile (CID 118480792) is 4-cyclohexylpent-3-enenitrile.
What is the SMILES notation for 4-cyclohexylpent-3-enenitrile?
The canonical SMILES for 4-cyclohexylpent-3-enenitrile is CC(=CCC#N)C1CCCCC1.
What is the InChIKey of 4-cyclohexylpent-3-enenitrile?
The InChIKey is LVNCBYAPWANHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-8H2,1H3.
What are the key properties of 4-cyclohexylpent-3-enenitrile?
4-cyclohexylpent-3-enenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpent-3-enenitrile is sourced from PubChem (CID 118480792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).