3-methyliminocyclohexan-1-one

C7H11NO — CID 7157389

IUPAC3-methyliminocyclohexan-1-one
SMILESC/N=C1\CCCC(=O)C1
InChIInChI=1S/C7H11NO/c1-8-6-3-2-4-7(9)5-6/h2-5H2,1H3/b8-6+
InChIKeyANMUGNRSSLLEIP-SOFGYWHQSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds

About 3-methyliminocyclohexan-1-one

3-methyliminocyclohexan-1-one (PubChem CID 7157389) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyliminocyclohexan-1-one.

Molecular Properties

Compound Name3-methyliminocyclohexan-1-one
PubChem CID7157389
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methyliminocyclohexan-1-one
SMILESC/N=C1\CCCC(=O)C1
InChIInChI=1S/C7H11NO/c1-8-6-3-2-4-7(9)5-6/h2-5H2,1H3/b8-6+
InChIKeyANMUGNRSSLLEIP-SOFGYWHQSA-N
XLogP1.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.20
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

6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
Acetylaceton-mono-methylimid
CID 14454679
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
2-Methyliminocyclohexan-1-one
CID 18322635
3-Methyliminopentan-2-one
CID 20230030
5-Ethyliminohexan-2-one
CID 20666906
4-Methyliminocyclohexan-1-one
CID 21134185
4-Methyliminohexan-2-one
CID 22968350
5-Methyliminohexan-3-one
CID 23564170
2,5-Bis(methylimino)cyclohexane-1,4-dione
CID 54568642
4-Hexyliminocyclohexan-1-one
CID 57020745
2,5-Bis(ethylimino)cyclohexane-1,4-dione
CID 57084198

Frequently Asked Questions

What is the IUPAC name of 3-methyliminocyclohexan-1-one?
The IUPAC name of 3-methyliminocyclohexan-1-one (CID 7157389) is 3-methyliminocyclohexan-1-one.
What is the SMILES notation for 3-methyliminocyclohexan-1-one?
The canonical SMILES for 3-methyliminocyclohexan-1-one is C/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-methyliminocyclohexan-1-one?
The InChIKey is ANMUGNRSSLLEIP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-3-2-4-7(9)5-6/h2-5H2,1H3/b8-6+.
What are the key properties of 3-methyliminocyclohexan-1-one?
3-methyliminocyclohexan-1-one has a molecular weight of 125.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminocyclohexan-1-one is sourced from PubChem (CID 7157389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).