2-(chloromethylidene)cyclohexan-1-one

C7H9ClO — CID 71446776

IUPAC2-(chloromethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=CCl
InChIInChI=1S/C7H9ClO/c8-5-6-3-1-2-4-7(6)9/h5H,1-4H2
InChIKeyAEYFXLSPIRVNPP-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.25
Rot. Bonds

About 2-(chloromethylidene)cyclohexan-1-one

2-(chloromethylidene)cyclohexan-1-one (PubChem CID 71446776) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-(chloromethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(chloromethylidene)cyclohexan-1-one
PubChem CID71446776
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name2-(chloromethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=CCl
InChIInChI=1S/C7H9ClO/c8-5-6-3-1-2-4-7(6)9/h5H,1-4H2
InChIKeyAEYFXLSPIRVNPP-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(chloromethylidene)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethylidene)cyclohexan-1-one?
The IUPAC name of 2-(chloromethylidene)cyclohexan-1-one (CID 71446776) is 2-(chloromethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(chloromethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(chloromethylidene)cyclohexan-1-one is O=C1CCCCC1=CCl.
What is the InChIKey of 2-(chloromethylidene)cyclohexan-1-one?
The InChIKey is AEYFXLSPIRVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-5-6-3-1-2-4-7(6)9/h5H,1-4H2.
What are the key properties of 2-(chloromethylidene)cyclohexan-1-one?
2-(chloromethylidene)cyclohexan-1-one has a molecular weight of 144.60 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylidene)cyclohexan-1-one is sourced from PubChem (CID 71446776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).