3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile

C11H15N — CID 91503336

IUPAC3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile
SMILESC=C1CC(C#N)CC(C2CC2)C1
InChIInChI=1S/C11H15N/c1-8-4-9(7-12)6-11(5-8)10-2-3-10/h9-11H,1-6H2
InChIKeyRZVNYMQPUFFVTI-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.89
Rot. Bonds1

About 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile

3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile (PubChem CID 91503336) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile
PubChem CID91503336
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile
SMILESC=C1CC(C#N)CC(C2CC2)C1
InChIInChI=1S/C11H15N/c1-8-4-9(7-12)6-11(5-8)10-2-3-10/h9-11H,1-6H2
InChIKeyRZVNYMQPUFFVTI-UHFFFAOYSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.89
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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile (CID 91503336) is 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile is C=C1CC(C#N)CC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile?
The InChIKey is RZVNYMQPUFFVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-9(7-12)6-11(5-8)10-2-3-10/h9-11H,1-6H2.
What are the key properties of 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile?
3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile has a molecular weight of 161.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methylidenecyclohexane-1-carbonitrile is sourced from PubChem (CID 91503336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).