5-methylidene-2-oxooxolane-3-carboxylic acid

C6H6O4 — CID 102363919

IUPAC5-methylidene-2-oxooxolane-3-carboxylic acid
SMILESC=C1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C6H6O4/c1-3-2-4(5(7)8)6(9)10-3/h4H,1-2H2,(H,7,8)
InChIKeyCSABXZOISAWRFE-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.15
Rot. Bonds1

About 5-methylidene-2-oxooxolane-3-carboxylic acid

5-methylidene-2-oxooxolane-3-carboxylic acid (PubChem CID 102363919) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 5-methylidene-2-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name5-methylidene-2-oxooxolane-3-carboxylic acid
PubChem CID102363919
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name5-methylidene-2-oxooxolane-3-carboxylic acid
SMILESC=C1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C6H6O4/c1-3-2-4(5(7)8)6(9)10-3/h4H,1-2H2,(H,7,8)
InChIKeyCSABXZOISAWRFE-UHFFFAOYSA-N
XLogP0.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-methylidene-2-oxooxolane-3-carboxylic acid 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-methylidene-2-oxooxolane-3-carboxylic acid?
The IUPAC name of 5-methylidene-2-oxooxolane-3-carboxylic acid (CID 102363919) is 5-methylidene-2-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 5-methylidene-2-oxooxolane-3-carboxylic acid?
The canonical SMILES for 5-methylidene-2-oxooxolane-3-carboxylic acid is C=C1CC(C(=O)O)C(=O)O1.
What is the InChIKey of 5-methylidene-2-oxooxolane-3-carboxylic acid?
The InChIKey is CSABXZOISAWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-3-2-4(5(7)8)6(9)10-3/h4H,1-2H2,(H,7,8).
What are the key properties of 5-methylidene-2-oxooxolane-3-carboxylic acid?
5-methylidene-2-oxooxolane-3-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 102363919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).