1-(2-cyclohexyliminocyclopentyl)ethanone

C13H21NO — CID 610112

IUPAC1-(2-cyclohexyliminocyclopentyl)ethanone
SMILESCC(=O)C1CCC/C1=N\C1CCCCC1
InChIInChI=1S/C13H21NO/c1-10(15)12-8-5-9-13(12)14-11-6-3-2-4-7-11/h11-12H,2-9H2,1H3/b14-13+
InChIKeyXPYRJAVRRRFRPK-BUHFOSPRSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-cyclohexyliminocyclopentyl)ethanone

1-(2-cyclohexyliminocyclopentyl)ethanone (PubChem CID 610112) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-cyclohexyliminocyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexyliminocyclopentyl)ethanone
PubChem CID610112
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-cyclohexyliminocyclopentyl)ethanone
SMILESCC(=O)C1CCC/C1=N\C1CCCCC1
InChIInChI=1S/C13H21NO/c1-10(15)12-8-5-9-13(12)14-11-6-3-2-4-7-11/h11-12H,2-9H2,1H3/b14-13+
InChIKeyXPYRJAVRRRFRPK-BUHFOSPRSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
Azabicyclo[4,3,0]nonen-8-one
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1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
5-Hexylimino-3,3-dimethylcyclohexan-1-one
CID 57088225
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
1-[(1S,3R)-3-(propan-2-ylideneamino)cyclopentyl]ethanone
CID 60122257
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
CID 69098499

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyliminocyclopentyl)ethanone?
The IUPAC name of 1-(2-cyclohexyliminocyclopentyl)ethanone (CID 610112) is 1-(2-cyclohexyliminocyclopentyl)ethanone.
What is the SMILES notation for 1-(2-cyclohexyliminocyclopentyl)ethanone?
The canonical SMILES for 1-(2-cyclohexyliminocyclopentyl)ethanone is CC(=O)C1CCC/C1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyliminocyclopentyl)ethanone?
The InChIKey is XPYRJAVRRRFRPK-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(15)12-8-5-9-13(12)14-11-6-3-2-4-7-11/h11-12H,2-9H2,1H3/b14-13+.
What are the key properties of 1-(2-cyclohexyliminocyclopentyl)ethanone?
1-(2-cyclohexyliminocyclopentyl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyliminocyclopentyl)ethanone is sourced from PubChem (CID 610112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).