2-(1-methyl-3-methylidenecyclohexyl)acetonitrile

C10H15N — CID 10796911

IUPAC2-(1-methyl-3-methylidenecyclohexyl)acetonitrile
SMILESC=C1CCCC(C)(CC#N)C1
InChIInChI=1S/C10H15N/c1-9-4-3-5-10(2,8-9)6-7-11/h1,3-6,8H2,2H3
InChIKeyCWYUABDTSKFKAB-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.04
Rot. Bonds1

About 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile

2-(1-methyl-3-methylidenecyclohexyl)acetonitrile (PubChem CID 10796911) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-3-methylidenecyclohexyl)acetonitrile
PubChem CID10796911
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-(1-methyl-3-methylidenecyclohexyl)acetonitrile
SMILESC=C1CCCC(C)(CC#N)C1
InChIInChI=1S/C10H15N/c1-9-4-3-5-10(2,8-9)6-7-11/h1,3-6,8H2,2H3
InChIKeyCWYUABDTSKFKAB-UHFFFAOYSA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.04
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 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile?
The IUPAC name of 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile (CID 10796911) is 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile?
The canonical SMILES for 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile is C=C1CCCC(C)(CC#N)C1.
What is the InChIKey of 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile?
The InChIKey is CWYUABDTSKFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-4-3-5-10(2,8-9)6-7-11/h1,3-6,8H2,2H3.
What are the key properties of 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile?
2-(1-methyl-3-methylidenecyclohexyl)acetonitrile has a molecular weight of 149.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-methylidenecyclohexyl)acetonitrile is sourced from PubChem (CID 10796911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).