(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile

C15H23N — CID 25003472

IUPAC(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile
SMILESCC1=CCC(C/C=C(/C)CCC#N)C1(C)C
InChIInChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7-
InChIKeyAZDPQCUMJKQEQL-GHXNOFRVSA-N
MW217.36 g/mol
LogP4.62
Rot. Bonds4

About (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile

(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile (PubChem CID 25003472) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile.

Molecular Properties

Compound Name(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile
PubChem CID25003472
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile
SMILESCC1=CCC(C/C=C(/C)CCC#N)C1(C)C
InChIInChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7-
InChIKeyAZDPQCUMJKQEQL-GHXNOFRVSA-N
XLogP4.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Citronellyl nitrile
CID 3033030
3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
CID 85833
Citronellonitrile
CID 11789380
2-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-
CID 93723
4,8-Decadienenitrile, 2,2,5,9-tetramethyl-
CID 94008
7-Nonenenitrile, 4,8-dimethyl-
CID 40058
2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
CID 549710
1-Cyclohexene-1-carbonitrile, 4-(1,1-dimethylethyl)-
CID 11355665
2-Butenenitrile, 4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 6437981
(3S)-3,7-dimethyloct-6-enenitrile
CID 71601137
1-Cyclohexene-1-acetonitrile, 4-(1,1-dimethylethyl)-
CID 105534
6-Methyl-5-propan-2-ylhept-4-enenitrile
CID 131881798

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile?
The IUPAC name of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile (CID 25003472) is (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile.
What is the SMILES notation for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile?
The canonical SMILES for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile is CC1=CCC(C/C=C(/C)CCC#N)C1(C)C.
What is the InChIKey of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile?
The InChIKey is AZDPQCUMJKQEQL-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7-.
What are the key properties of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile?
(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enenitrile is sourced from PubChem (CID 25003472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).