3-ethylimino-2-methylcyclohexan-1-one

C9H15NO — CID 123557882

IUPAC3-ethylimino-2-methylcyclohexan-1-one
SMILESCC/N=C1\CCCC(=O)C1C
InChIInChI=1S/C9H15NO/c1-3-10-8-5-4-6-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyPCWXSPNISRVLQK-CSKARUKUSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds1

About 3-ethylimino-2-methylcyclohexan-1-one

3-ethylimino-2-methylcyclohexan-1-one (PubChem CID 123557882) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-ethylimino-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethylimino-2-methylcyclohexan-1-one
PubChem CID123557882
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-ethylimino-2-methylcyclohexan-1-one
SMILESCC/N=C1\CCCC(=O)C1C
InChIInChI=1S/C9H15NO/c1-3-10-8-5-4-6-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyPCWXSPNISRVLQK-CSKARUKUSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
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
N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
(5z)-3,3-Dimethyl-5-(methylimino)cyclohexanone
CID 238695
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
2-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 56989613
3-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 57031861
4,4-Dimethyl-2-methyliminocyclohexan-1-one
CID 57089896

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-2-methylcyclohexan-1-one?
The IUPAC name of 3-ethylimino-2-methylcyclohexan-1-one (CID 123557882) is 3-ethylimino-2-methylcyclohexan-1-one.
What is the SMILES notation for 3-ethylimino-2-methylcyclohexan-1-one?
The canonical SMILES for 3-ethylimino-2-methylcyclohexan-1-one is CC/N=C1\CCCC(=O)C1C.
What is the InChIKey of 3-ethylimino-2-methylcyclohexan-1-one?
The InChIKey is PCWXSPNISRVLQK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-8-5-4-6-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+.
What are the key properties of 3-ethylimino-2-methylcyclohexan-1-one?
3-ethylimino-2-methylcyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-2-methylcyclohexan-1-one is sourced from PubChem (CID 123557882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).