1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile

C15H16ClN — CID 175043658

IUPAC1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C=Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H16ClN/c16-14-6-4-13(5-7-14)8-11-15(12-17)9-2-1-3-10-15/h4-8,11H,1-3,9-10H2
InChIKeyGNWWNDXYSQHKJS-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.83
Rot. Bonds2

About 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile

1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile (PubChem CID 175043658) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile
PubChem CID175043658
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C=Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H16ClN/c16-14-6-4-13(5-7-14)8-11-15(12-17)9-2-1-3-10-15/h4-8,11H,1-3,9-10H2
InChIKeyGNWWNDXYSQHKJS-UHFFFAOYSA-N
XLogP4.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile (CID 175043658) is 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile is N#CC1(C=Cc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile?
The InChIKey is GNWWNDXYSQHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c16-14-6-4-13(5-7-14)8-11-15(12-17)9-2-1-3-10-15/h4-8,11H,1-3,9-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile?
1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile has a molecular weight of 245.75 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 175043658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).