(513C)furan-2,5-dione

C4H2O3 — CID 71308941

IUPAC(513C)furan-2,5-dione
SMILESO=C1C=C[13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1
InChIKeyFPYJFEHAWHCUMM-LBPDFUHNSA-N
MW99.05 g/mol
LogP-0.37
Rot. Bonds

About (513C)furan-2,5-dione

(513C)furan-2,5-dione (PubChem CID 71308941) has the molecular formula C4H2O3 and a molecular weight of 99.05 g/mol. Its IUPAC name is (513C)furan-2,5-dione.

Molecular Properties

Compound Name(513C)furan-2,5-dione
PubChem CID71308941
Molecular FormulaC4H2O3
Molecular Weight99.05 g/mol
Exact Mass99.00
IUPAC Name(513C)furan-2,5-dione
SMILESO=C1C=C[13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1
InChIKeyFPYJFEHAWHCUMM-LBPDFUHNSA-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 ≤ 50099.05
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

CID 7923
CID 7923
CID 10341
CID 10341
CID 168405
CID 168405
CID 213542
CID 213542
CID 13000553
CID 13000553
CID 87229156
CID 87229156
CID 62700
CID 62700
CID 168413
CID 168413
CID 169247
CID 169247
CID 11094551
CID 11094551
CID 12206254
CID 12206254
CID 89449754
CID 89449754

Frequently Asked Questions

What is the IUPAC name of (513C)furan-2,5-dione?
The IUPAC name of (513C)furan-2,5-dione (CID 71308941) is (513C)furan-2,5-dione.
What is the SMILES notation for (513C)furan-2,5-dione?
The canonical SMILES for (513C)furan-2,5-dione is O=C1C=C[13C](=O)O1.
What is the InChIKey of (513C)furan-2,5-dione?
The InChIKey is FPYJFEHAWHCUMM-LBPDFUHNSA-N. The full InChI is InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i3+1.
What are the key properties of (513C)furan-2,5-dione?
(513C)furan-2,5-dione has a molecular weight of 99.05 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 (513C)furan-2,5-dione is sourced from PubChem (CID 71308941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).