3,4-bis(ethenyl)furan-2,5-dione

C8H6O3 — CID 126638869

IUPAC3,4-bis(ethenyl)furan-2,5-dione
SMILESC=CC1=C(C=C)C(=O)OC1=O
InChIInChI=1S/C8H6O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4H,1-2H2
InChIKeyKNUCVCTWSZQZDG-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.74
Rot. Bonds2

About 3,4-bis(ethenyl)furan-2,5-dione

3,4-bis(ethenyl)furan-2,5-dione (PubChem CID 126638869) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,4-bis(ethenyl)furan-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)furan-2,5-dione
PubChem CID126638869
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name3,4-bis(ethenyl)furan-2,5-dione
SMILESC=CC1=C(C=C)C(=O)OC1=O
InChIInChI=1S/C8H6O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4H,1-2H2
InChIKeyKNUCVCTWSZQZDG-UHFFFAOYSA-N
XLogP0.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-bis(ethenyl)furan-2,5-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 3,4-bis(ethenyl)furan-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)furan-2,5-dione (CID 126638869) is 3,4-bis(ethenyl)furan-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)furan-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)furan-2,5-dione is C=CC1=C(C=C)C(=O)OC1=O.
What is the InChIKey of 3,4-bis(ethenyl)furan-2,5-dione?
The InChIKey is KNUCVCTWSZQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4H,1-2H2.
What are the key properties of 3,4-bis(ethenyl)furan-2,5-dione?
3,4-bis(ethenyl)furan-2,5-dione has a molecular weight of 150.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)furan-2,5-dione is sourced from PubChem (CID 126638869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).