3-chloro-5-methylcyclohex-2-en-1-one

C7H9ClO — CID 12641268

IUPAC3-chloro-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(Cl)C1
InChIInChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3
InChIKeyRQWGKEUBPFDQRF-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.11
Rot. Bonds

About 3-chloro-5-methylcyclohex-2-en-1-one

3-chloro-5-methylcyclohex-2-en-1-one (PubChem CID 12641268) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-chloro-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-chloro-5-methylcyclohex-2-en-1-one
PubChem CID12641268
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name3-chloro-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(Cl)C1
InChIInChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3
InChIKeyRQWGKEUBPFDQRF-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
CID 140243
6-Methylcyclohex-2-en-1-one
CID 11062335
2-Cyclohexen-1-one, 5-methyl-
CID 522446
(R)-5-methyl-2-cyclohexenone
CID 10986174
(5S)-5-methylcyclohex-2-en-1-one
CID 642470
Avurfbizeptiqc-uhfffaoysa-
CID 14001189
(5R)-5-(3-Chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 14001191
5-(2-Chloropropan-2-yl)-2-methylcyclohex-2-en-1-one
CID 17788624
2-Cyclohexen-1-one, 5-[1-(chloromethyl)ethenyl]-2-methyl-, (5S)-
CID 14001190
(6R)-6-Methylcyclohex-2-en-1-one
CID 15564300
2-Chloro-4-propan-2-ylcyclopent-2-en-1-one
CID 45119110
Chloro-p-menth-4-ene-3-one
CID 129674155

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylcyclohex-2-en-1-one?
The IUPAC name of 3-chloro-5-methylcyclohex-2-en-1-one (CID 12641268) is 3-chloro-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-chloro-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-chloro-5-methylcyclohex-2-en-1-one is CC1CC(=O)C=C(Cl)C1.
What is the InChIKey of 3-chloro-5-methylcyclohex-2-en-1-one?
The InChIKey is RQWGKEUBPFDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3H2,1H3.
What are the key properties of 3-chloro-5-methylcyclohex-2-en-1-one?
3-chloro-5-methylcyclohex-2-en-1-one has a molecular weight of 144.60 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 12641268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).