5-cyclopentylimino-3,3-dimethylcyclohexan-1-one

C13H21NO — CID 91161890

IUPAC5-cyclopentylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3/b14-11+
InChIKeyZYMNGUIILNSXJW-SDNWHVSQSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds1

About 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one

5-cyclopentylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 91161890) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cyclopentylimino-3,3-dimethylcyclohexan-1-one
PubChem CID91161890
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-cyclopentylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3/b14-11+
InChIKeyZYMNGUIILNSXJW-SDNWHVSQSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one (CID 91161890) is 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CCCC2)C1.
What is the InChIKey of 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is ZYMNGUIILNSXJW-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)8-11(7-12(15)9-13)14-10-5-3-4-6-10/h10H,3-9H2,1-2H3/b14-11+.
What are the key properties of 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one?
5-cyclopentylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 207.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 91161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).