3-(5-oxooxolan-2-yl)propanoyl chloride

C7H9ClO3 — CID 14084427

IUPAC3-(5-oxooxolan-2-yl)propanoyl chloride
SMILESO=C(Cl)CCC1CCC(=O)O1
InChIInChI=1S/C7H9ClO3/c8-6(9)3-1-5-2-4-7(10)11-5/h5H,1-4H2
InChIKeyVFRLHAGWMXHLLW-UHFFFAOYSA-N
MW176.60 g/mol
LogP1.24
Rot. Bonds3

About 3-(5-oxooxolan-2-yl)propanoyl chloride

3-(5-oxooxolan-2-yl)propanoyl chloride (PubChem CID 14084427) has the molecular formula C7H9ClO3 and a molecular weight of 176.60 g/mol. Its IUPAC name is 3-(5-oxooxolan-2-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(5-oxooxolan-2-yl)propanoyl chloride
PubChem CID14084427
Molecular FormulaC7H9ClO3
Molecular Weight176.60 g/mol
Exact Mass176.02
IUPAC Name3-(5-oxooxolan-2-yl)propanoyl chloride
SMILESO=C(Cl)CCC1CCC(=O)O1
InChIInChI=1S/C7H9ClO3/c8-6(9)3-1-5-2-4-7(10)11-5/h5H,1-4H2
InChIKeyVFRLHAGWMXHLLW-UHFFFAOYSA-N
XLogP1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-(5-oxooxolan-2-yl)propanoyl chloride 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 3-(5-oxooxolan-2-yl)propanoyl chloride?
The IUPAC name of 3-(5-oxooxolan-2-yl)propanoyl chloride (CID 14084427) is 3-(5-oxooxolan-2-yl)propanoyl chloride.
What is the SMILES notation for 3-(5-oxooxolan-2-yl)propanoyl chloride?
The canonical SMILES for 3-(5-oxooxolan-2-yl)propanoyl chloride is O=C(Cl)CCC1CCC(=O)O1.
What is the InChIKey of 3-(5-oxooxolan-2-yl)propanoyl chloride?
The InChIKey is VFRLHAGWMXHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3/c8-6(9)3-1-5-2-4-7(10)11-5/h5H,1-4H2.
What are the key properties of 3-(5-oxooxolan-2-yl)propanoyl chloride?
3-(5-oxooxolan-2-yl)propanoyl chloride has a molecular weight of 176.60 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxooxolan-2-yl)propanoyl chloride is sourced from PubChem (CID 14084427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).