(2,5-13C2)furan-2,5-dione

C4H2O3 — CID 87229156

IUPAC(2,5-13C2)furan-2,5-dione
SMILESO=[13C]1C=C[13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1,4+1
InChIKeyFPYJFEHAWHCUMM-CQDYUVAPSA-N
MW100.04 g/mol
LogP-0.37
Rot. Bonds

About (2,5-13C2)furan-2,5-dione

(2,5-13C2)furan-2,5-dione (PubChem CID 87229156) has the molecular formula C4H2O3 and a molecular weight of 100.04 g/mol. Its IUPAC name is (2,5-13C2)furan-2,5-dione.

Molecular Properties

Compound Name(2,5-13C2)furan-2,5-dione
PubChem CID87229156
Molecular FormulaC4H2O3
Molecular Weight100.04 g/mol
Exact Mass100.01
IUPAC Name(2,5-13C2)furan-2,5-dione
SMILESO=[13C]1C=C[13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1,4+1
InChIKeyFPYJFEHAWHCUMM-CQDYUVAPSA-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 ≤ 500100.04
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'}

Analyze (2,5-13C2)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

Related Compounds

Maleic Anhydride
CID 7923
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
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 (2,5-13C2)furan-2,5-dione?
The IUPAC name of (2,5-13C2)furan-2,5-dione (CID 87229156) is (2,5-13C2)furan-2,5-dione.
What is the SMILES notation for (2,5-13C2)furan-2,5-dione?
The canonical SMILES for (2,5-13C2)furan-2,5-dione is O=[13C]1C=C[13C](=O)O1.
What is the InChIKey of (2,5-13C2)furan-2,5-dione?
The InChIKey is FPYJFEHAWHCUMM-CQDYUVAPSA-N. The full InChI is InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1,4+1.
What are the key properties of (2,5-13C2)furan-2,5-dione?
(2,5-13C2)furan-2,5-dione has a molecular weight of 100.04 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 (2,5-13C2)furan-2,5-dione is sourced from PubChem (CID 87229156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).