(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'}

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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).