4-methyliminocyclohexan-1-one

C7H11NO — CID 21134185

IUPAC4-methyliminocyclohexan-1-one
SMILESCN=C1CCC(=O)CC1
InChIInChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2-5H2,1H3
InChIKeyTVLPZEHYIFMVBM-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds

About 4-methyliminocyclohexan-1-one

4-methyliminocyclohexan-1-one (PubChem CID 21134185) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methyliminocyclohexan-1-one.

Molecular Properties

Compound Name4-methyliminocyclohexan-1-one
PubChem CID21134185
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-methyliminocyclohexan-1-one
SMILESCN=C1CCC(=O)CC1
InChIInChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2-5H2,1H3
InChIKeyTVLPZEHYIFMVBM-UHFFFAOYSA-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

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CID 520300
Acetylaceton-mono-methylimid
CID 14454679
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
3-Methyliminocyclohexan-1-one
CID 7157389
2-Methyliminocyclohexan-1-one
CID 18322635
3-Methyliminopentan-2-one
CID 20230030
5-Ethyliminohexan-2-one
CID 20666906
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 4-methyliminocyclohexan-1-one?
The IUPAC name of 4-methyliminocyclohexan-1-one (CID 21134185) is 4-methyliminocyclohexan-1-one.
What is the SMILES notation for 4-methyliminocyclohexan-1-one?
The canonical SMILES for 4-methyliminocyclohexan-1-one is CN=C1CCC(=O)CC1.
What is the InChIKey of 4-methyliminocyclohexan-1-one?
The InChIKey is TVLPZEHYIFMVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-2-4-7(9)5-3-6/h2-5H2,1H3.
What are the key properties of 4-methyliminocyclohexan-1-one?
4-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 4-methyliminocyclohexan-1-one is sourced from PubChem (CID 21134185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).