4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile

C16H19N — CID 138984836

IUPAC4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile
SMILESCC1(/C=C\c2ccc(C#N)cc2)CCCCC1
InChIInChI=1S/C16H19N/c1-16(10-3-2-4-11-16)12-9-14-5-7-15(13-17)8-6-14/h5-9,12H,2-4,10-11H2,1H3/b12-9-
InChIKeyVDOCPBQMXGLSAJ-XFXZXTDPSA-N
MW225.34 g/mol
LogP4.54
Rot. Bonds2

About 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile

4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile (PubChem CID 138984836) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile
PubChem CID138984836
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile
SMILESCC1(/C=C\c2ccc(C#N)cc2)CCCCC1
InChIInChI=1S/C16H19N/c1-16(10-3-2-4-11-16)12-9-14-5-7-15(13-17)8-6-14/h5-9,12H,2-4,10-11H2,1H3/b12-9-
InChIKeyVDOCPBQMXGLSAJ-XFXZXTDPSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-prop-1-enylbenzonitrile
CID 68719840
4-[1-[(E)-prop-1-enyl]cyclohexyl]benzonitrile
CID 19380392
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
4-(1-aminocyclobutyl)benzonitrile;hydrochloride
CID 71742690
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(2-ethylsulfanylethenyl)benzonitrile
CID 71427451
4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
CID 10644308
4-(2-ethoxyethenyl)benzonitrile
CID 131843899

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile (CID 138984836) is 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile is CC1(/C=C\c2ccc(C#N)cc2)CCCCC1.
What is the InChIKey of 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile?
The InChIKey is VDOCPBQMXGLSAJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H19N/c1-16(10-3-2-4-11-16)12-9-14-5-7-15(13-17)8-6-14/h5-9,12H,2-4,10-11H2,1H3/b12-9-.
What are the key properties of 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile?
4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile has a molecular weight of 225.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(1-methylcyclohexyl)ethenyl]benzonitrile is sourced from PubChem (CID 138984836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).