5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione

C8H8O3 — CID 556384

IUPAC5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione
SMILESC=C1CC2C(=O)OC(=O)C2C1
InChIInChI=1S/C8H8O3/c1-4-2-5-6(3-4)8(10)11-7(5)9/h5-6H,1-3H2
InChIKeyVPCZJTZBDBBKCG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.65
Rot. Bonds

About 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione

5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione (PubChem CID 556384) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione.

Molecular Properties

Compound Name5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione
PubChem CID556384
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione
SMILESC=C1CC2C(=O)OC(=O)C2C1
InChIInChI=1S/C8H8O3/c1-4-2-5-6(3-4)8(10)11-7(5)9/h5-6H,1-3H2
InChIKeyVPCZJTZBDBBKCG-UHFFFAOYSA-N
XLogP0.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione 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-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione?
The IUPAC name of 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione (CID 556384) is 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione.
What is the SMILES notation for 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione?
The canonical SMILES for 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione is C=C1CC2C(=O)OC(=O)C2C1.
What is the InChIKey of 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione?
The InChIKey is VPCZJTZBDBBKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-2-5-6(3-4)8(10)11-7(5)9/h5-6H,1-3H2.
What are the key properties of 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione?
5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione has a molecular weight of 152.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3-dione is sourced from PubChem (CID 556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).