furan-2,5-dione

C4H2O3 — CID 7923

IUPACfuran-2,5-dione
SMILESO=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyFPYJFEHAWHCUMM-UHFFFAOYSA-N
MW98.06 g/mol
LogP-0.37
Rot. Bonds

About furan-2,5-dione

furan-2,5-dione (PubChem CID 7923) has the molecular formula C4H2O3 and a molecular weight of 98.06 g/mol. Its IUPAC name is furan-2,5-dione.

Molecular Properties

Compound Namefuran-2,5-dione
PubChem CID7923
Molecular FormulaC4H2O3
Molecular Weight98.06 g/mol
Exact Mass98.00
IUPAC Namefuran-2,5-dione
SMILESO=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyFPYJFEHAWHCUMM-UHFFFAOYSA-N
XLogP-0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.06
LogP ≤ 5-0.37
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
CID 10341
2,5-Furandione, polymer with 1,3-butadiene
CID 168405
Acrylic acid, polymer with maleic anhydride
CID 213542
Maleic anhydride-d2
CID 13000553
(2-~13~C)Furan-2,5-dione
CID 71308941
2,5-Furandione-2,5-13C2
CID 87229156
Furan-2,5-dione--ethene (1/1)
CID 62700
Furan-2,5-dione;prop-1-ene
CID 168413
Ethene;furan-2,5-dione;prop-1-ene
CID 169247
beta-Fluorobutenolide
CID 11094551
2,5-Furandione, 3-fluoro-
CID 12206254
2-fluoro-2H-furan-5-one
CID 89449754

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione?
The IUPAC name of furan-2,5-dione (CID 7923) is furan-2,5-dione.
What is the SMILES notation for furan-2,5-dione?
The canonical SMILES for furan-2,5-dione is O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione?
The InChIKey is FPYJFEHAWHCUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H.
What are the key properties of furan-2,5-dione?
furan-2,5-dione has a molecular weight of 98.06 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione is sourced from PubChem (CID 7923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).