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'}

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Related Compounds

2(5H)-Furanone, 4-ethenyl-
CID 148666
Pestalafuranone F
CID 139583515
Vinyl-maleic anhydride
CID 272273
3-Vinylfuran-2(5h)-one
CID 10877071
Methyl 2-ethenyl-3-methylbut-2-enoate
CID 13759246
3,4-Bis(1-fluoroethenyl)furan-2,5-dione
CID 145459265
3-(1-Fluoroethenyl)furan-2,5-dione
CID 174998539
methyl (2Z)-2,3-dimethylpenta-2,4-dienoate
CID 11851358
3-[(E)-but-1-enyl]-4-methylfuran-2,5-dione
CID 132604377
Carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium
CID 134866986
3-Ethenyl-4-(1-fluoroethenyl)furan-2,5-dione
CID 142361740
3-methyl-4-[(E)-pent-1-enyl]furan-2,5-dione
CID 21627319

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).