1-(2-chlorocyclopenten-1-yl)ethanone

C7H9ClO — CID 12948402

IUPAC1-(2-chlorocyclopenten-1-yl)ethanone
SMILESCC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C7H9ClO/c1-5(9)6-3-2-4-7(6)8/h2-4H2,1H3
InChIKeyFDNVPMVFKDIYNP-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.25
Rot. Bonds1

About 1-(2-chlorocyclopenten-1-yl)ethanone

1-(2-chlorocyclopenten-1-yl)ethanone (PubChem CID 12948402) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 1-(2-chlorocyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorocyclopenten-1-yl)ethanone
PubChem CID12948402
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name1-(2-chlorocyclopenten-1-yl)ethanone
SMILESCC(=O)C1=C(Cl)CCC1
InChIInChI=1S/C7H9ClO/c1-5(9)6-3-2-4-7(6)8/h2-4H2,1H3
InChIKeyFDNVPMVFKDIYNP-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopenten-1-yl)ethanone?
The IUPAC name of 1-(2-chlorocyclopenten-1-yl)ethanone (CID 12948402) is 1-(2-chlorocyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorocyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorocyclopenten-1-yl)ethanone is CC(=O)C1=C(Cl)CCC1.
What is the InChIKey of 1-(2-chlorocyclopenten-1-yl)ethanone?
The InChIKey is FDNVPMVFKDIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5(9)6-3-2-4-7(6)8/h2-4H2,1H3.
What are the key properties of 1-(2-chlorocyclopenten-1-yl)ethanone?
1-(2-chlorocyclopenten-1-yl)ethanone has a molecular weight of 144.60 g/mol, XLogP of 2.25, 1 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)ethanone is sourced from PubChem (CID 12948402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).