4-(4-ethenylcyclohexyl)benzonitrile

C15H17N — CID 18724353

IUPAC4-(4-ethenylcyclohexyl)benzonitrile
SMILESC=CC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2
InChIKeyJHXJAWXZLWDDED-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.02
Rot. Bonds2

About 4-(4-ethenylcyclohexyl)benzonitrile

4-(4-ethenylcyclohexyl)benzonitrile (PubChem CID 18724353) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(4-ethenylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name4-(4-ethenylcyclohexyl)benzonitrile
PubChem CID18724353
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-(4-ethenylcyclohexyl)benzonitrile
SMILESC=CC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2
InChIKeyJHXJAWXZLWDDED-UHFFFAOYSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylcyclohexyl)benzonitrile?
The IUPAC name of 4-(4-ethenylcyclohexyl)benzonitrile (CID 18724353) is 4-(4-ethenylcyclohexyl)benzonitrile.
What is the SMILES notation for 4-(4-ethenylcyclohexyl)benzonitrile?
The canonical SMILES for 4-(4-ethenylcyclohexyl)benzonitrile is C=CC1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(4-ethenylcyclohexyl)benzonitrile?
The InChIKey is JHXJAWXZLWDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2.
What are the key properties of 4-(4-ethenylcyclohexyl)benzonitrile?
4-(4-ethenylcyclohexyl)benzonitrile has a molecular weight of 211.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylcyclohexyl)benzonitrile is sourced from PubChem (CID 18724353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).