3-(chloromethylidene)cyclohexan-1-one

C7H9ClO — CID 86032551

IUPAC3-(chloromethylidene)cyclohexan-1-one
SMILESO=C1CCCC(=CCl)C1
InChIInChI=1S/C7H9ClO/c8-5-6-2-1-3-7(9)4-6/h5H,1-4H2
InChIKeyLGPQVOAQJGLXFM-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.25
Rot. Bonds

About 3-(chloromethylidene)cyclohexan-1-one

3-(chloromethylidene)cyclohexan-1-one (PubChem CID 86032551) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-(chloromethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name3-(chloromethylidene)cyclohexan-1-one
PubChem CID86032551
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name3-(chloromethylidene)cyclohexan-1-one
SMILESO=C1CCCC(=CCl)C1
InChIInChI=1S/C7H9ClO/c8-5-6-2-1-3-7(9)4-6/h5H,1-4H2
InChIKeyLGPQVOAQJGLXFM-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

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Related Compounds

4-Methylidenecyclohexan-1-one
CID 573489
3-Methylidenecyclohexan-1-one
CID 21133548
6-Chloro-5-methylhex-5-en-2-one
CID 106439156
2,2,3,3-Tetradeuterio-4-methylidenecyclohexan-1-one
CID 140220121
2,2,3,3,5,5,6,6-Octadeuterio-4-methylidenecyclohexan-1-one
CID 140220125
2-Chloro-3-methylidenecyclohexan-1-one
CID 153325856
(2E)-2-(chloromethylidene)cyclohexan-1-one
CID 14118683
2-(Chloromethylidene)cyclohexan-1-one
CID 71446776
7-Chloro-6-methylhept-6-en-3-one
CID 106439159
(3Z)-3-(chloromethylidene)cyclohexan-1-one
CID 133670348
(E)-6-chloro-5-methylhex-5-en-2-one
CID 133672482
(E)-7-chloro-6-methylhept-6-en-3-one
CID 133677816

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethylidene)cyclohexan-1-one?
The IUPAC name of 3-(chloromethylidene)cyclohexan-1-one (CID 86032551) is 3-(chloromethylidene)cyclohexan-1-one.
What is the SMILES notation for 3-(chloromethylidene)cyclohexan-1-one?
The canonical SMILES for 3-(chloromethylidene)cyclohexan-1-one is O=C1CCCC(=CCl)C1.
What is the InChIKey of 3-(chloromethylidene)cyclohexan-1-one?
The InChIKey is LGPQVOAQJGLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-5-6-2-1-3-7(9)4-6/h5H,1-4H2.
What are the key properties of 3-(chloromethylidene)cyclohexan-1-one?
3-(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 3-(chloromethylidene)cyclohexan-1-one is sourced from PubChem (CID 86032551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).