4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile

C17H21N — CID 67925507

IUPAC4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
SMILESCC/C=C\C1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h3-4,7-8,11-12,14,16H,2,5-6,9-10H2,1H3/b4-3-
InChIKeyDGCFSMRCHVOUNV-ARJAWSKDSA-N
MW239.36 g/mol
LogP4.80
Rot. Bonds3

About 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile

4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile (PubChem CID 67925507) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
PubChem CID67925507
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
SMILESCC/C=C\C1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h3-4,7-8,11-12,14,16H,2,5-6,9-10H2,1H3/b4-3-
InChIKeyDGCFSMRCHVOUNV-ARJAWSKDSA-N
XLogP4.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.80
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-[4-[(E)-3-ethoxyprop-1-enyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19097907
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]benzonitrile
CID 18179288
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19798791
4-[4-[2-[4-(4-cyanobuta-1,3-dienyl)cyclohexyl]ethenyl]cyclohexyl]benzonitrile
CID 54122592
4-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54204639
1-[4-[(E)-but-1-enyl]cyclohexyl]-4-isocyanobenzene
CID 20594569
4-[4-[4-[(E)-3-(1,3-dioxan-2-yl)prop-1-enyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19695572
4-[4-[4-[(1E)-buta-1,3-dienyl]cyclohexyl]cyclohexyl]benzonitrile
CID 22915750

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile (CID 67925507) is 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile is CC/C=C\C1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile?
The InChIKey is DGCFSMRCHVOUNV-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h3-4,7-8,11-12,14,16H,2,5-6,9-10H2,1H3/b4-3-.
What are the key properties of 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile?
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile has a molecular weight of 239.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile is sourced from PubChem (CID 67925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).