5-(3-oxocyclopentyl)oxolan-2-one

C9H12O3 — CID 58454728

IUPAC5-(3-oxocyclopentyl)oxolan-2-one
SMILESO=C1CCC(C2CCC(=O)O2)C1
InChIInChI=1S/C9H12O3/c10-7-2-1-6(5-7)8-3-4-9(11)12-8/h6,8H,1-5H2
InChIKeyQNMGHJPHEFKSIL-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.06
Rot. Bonds1

About 5-(3-oxocyclopentyl)oxolan-2-one

5-(3-oxocyclopentyl)oxolan-2-one (PubChem CID 58454728) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-(3-oxocyclopentyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-oxocyclopentyl)oxolan-2-one
PubChem CID58454728
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-(3-oxocyclopentyl)oxolan-2-one
SMILESO=C1CCC(C2CCC(=O)O2)C1
InChIInChI=1S/C9H12O3/c10-7-2-1-6(5-7)8-3-4-9(11)12-8/h6,8H,1-5H2
InChIKeyQNMGHJPHEFKSIL-UHFFFAOYSA-N
XLogP1.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-oxocyclopentyl)oxolan-2-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 5-(3-oxocyclopentyl)oxolan-2-one?
The IUPAC name of 5-(3-oxocyclopentyl)oxolan-2-one (CID 58454728) is 5-(3-oxocyclopentyl)oxolan-2-one.
What is the SMILES notation for 5-(3-oxocyclopentyl)oxolan-2-one?
The canonical SMILES for 5-(3-oxocyclopentyl)oxolan-2-one is O=C1CCC(C2CCC(=O)O2)C1.
What is the InChIKey of 5-(3-oxocyclopentyl)oxolan-2-one?
The InChIKey is QNMGHJPHEFKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-2-1-6(5-7)8-3-4-9(11)12-8/h6,8H,1-5H2.
What are the key properties of 5-(3-oxocyclopentyl)oxolan-2-one?
5-(3-oxocyclopentyl)oxolan-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxocyclopentyl)oxolan-2-one is sourced from PubChem (CID 58454728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).