1-(2-chlorocyclopenten-1-yl)propan-1-one

C8H11ClO — CID 15396849

IUPAC1-(2-chlorocyclopenten-1-yl)propan-1-one
SMILESCCC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(6)9/h2-5H2,1H3
InChIKeyPOPNFPMGZWMMHJ-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-chlorocyclopenten-1-yl)propan-1-one

1-(2-chlorocyclopenten-1-yl)propan-1-one (PubChem CID 15396849) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-(2-chlorocyclopenten-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chlorocyclopenten-1-yl)propan-1-one
PubChem CID15396849
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name1-(2-chlorocyclopenten-1-yl)propan-1-one
SMILESCCC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(6)9/h2-5H2,1H3
InChIKeyPOPNFPMGZWMMHJ-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorocyclopenten-1-yl)propan-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 1-(2-chlorocyclopenten-1-yl)propan-1-one?
The IUPAC name of 1-(2-chlorocyclopenten-1-yl)propan-1-one (CID 15396849) is 1-(2-chlorocyclopenten-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-chlorocyclopenten-1-yl)propan-1-one?
The canonical SMILES for 1-(2-chlorocyclopenten-1-yl)propan-1-one is CCC(=O)C1=C(Cl)CCC1.
What is the InChIKey of 1-(2-chlorocyclopenten-1-yl)propan-1-one?
The InChIKey is POPNFPMGZWMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(6)9/h2-5H2,1H3.
What are the key properties of 1-(2-chlorocyclopenten-1-yl)propan-1-one?
1-(2-chlorocyclopenten-1-yl)propan-1-one has a molecular weight of 158.63 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopenten-1-yl)propan-1-one is sourced from PubChem (CID 15396849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).