3-(2-chlorophenyl)cyclopent-2-en-1-one

C11H9ClO — CID 39238684

IUPAC3-(2-chlorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2ccccc2Cl)CC1
InChIInChI=1S/C11H9ClO/c12-11-4-2-1-3-10(11)8-5-6-9(13)7-8/h1-4,7H,5-6H2
InChIKeyKUZYZHMJZDFNMT-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.09
Rot. Bonds1

About 3-(2-chlorophenyl)cyclopent-2-en-1-one

3-(2-chlorophenyl)cyclopent-2-en-1-one (PubChem CID 39238684) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)cyclopent-2-en-1-one
PubChem CID39238684
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name3-(2-chlorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2ccccc2Cl)CC1
InChIInChI=1S/C11H9ClO/c12-11-4-2-1-3-10(11)8-5-6-9(13)7-8/h1-4,7H,5-6H2
InChIKeyKUZYZHMJZDFNMT-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-chlorophenyl)cyclopent-2-en-1-one (CID 39238684) is 3-(2-chlorophenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-chlorophenyl)cyclopent-2-en-1-one is O=C1C=C(c2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenyl)cyclopent-2-en-1-one?
The InChIKey is KUZYZHMJZDFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c12-11-4-2-1-3-10(11)8-5-6-9(13)7-8/h1-4,7H,5-6H2.
What are the key properties of 3-(2-chlorophenyl)cyclopent-2-en-1-one?
3-(2-chlorophenyl)cyclopent-2-en-1-one has a molecular weight of 192.65 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 39238684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).