4-cyclohex-3-en-1-ylbenzonitrile

C13H13N — CID 10866986

IUPAC4-cyclohex-3-en-1-ylbenzonitrile
SMILESN#Cc1ccc(C2CC=CCC2)cc1
InChIInChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2
InChIKeyVZIIMNWNMQEFIU-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.38
Rot. Bonds1

About 4-cyclohex-3-en-1-ylbenzonitrile

4-cyclohex-3-en-1-ylbenzonitrile (PubChem CID 10866986) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-ylbenzonitrile.

Molecular Properties

Compound Name4-cyclohex-3-en-1-ylbenzonitrile
PubChem CID10866986
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4-cyclohex-3-en-1-ylbenzonitrile
SMILESN#Cc1ccc(C2CC=CCC2)cc1
InChIInChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2
InChIKeyVZIIMNWNMQEFIU-UHFFFAOYSA-N
XLogP3.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.38
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-(4-methylcyclohexyl)benzonitrile
CID 18464047
2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923
4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzonitrile
CID 59875355
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
potassium 4-cyclopropylbenzonitrile
CID 176634269
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-cyclopropa-1,2-dien-1-ylcyclohexene
CID 163618559
1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
CID 107857409
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548
4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile
CID 19840872
2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile
CID 19899700

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-ylbenzonitrile?
The IUPAC name of 4-cyclohex-3-en-1-ylbenzonitrile (CID 10866986) is 4-cyclohex-3-en-1-ylbenzonitrile.
What is the SMILES notation for 4-cyclohex-3-en-1-ylbenzonitrile?
The canonical SMILES for 4-cyclohex-3-en-1-ylbenzonitrile is N#Cc1ccc(C2CC=CCC2)cc1.
What is the InChIKey of 4-cyclohex-3-en-1-ylbenzonitrile?
The InChIKey is VZIIMNWNMQEFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2.
What are the key properties of 4-cyclohex-3-en-1-ylbenzonitrile?
4-cyclohex-3-en-1-ylbenzonitrile has a molecular weight of 183.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-ylbenzonitrile is sourced from PubChem (CID 10866986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).