furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)

C14H10N2O9 — CID 175498641

IUPACfuran-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)
SMILESO=C(O)c1ccoc1C(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C6H4O5.2C4H3NO2/c7-5(8)3-1-2-11-4(3)6(9)10;2*6-3-1-2-4(7)5-3/h1-2H,(H,7,8)(H,9,10);2*1-2H,(H,5,6,7)
InChIKeyKTDHZPWGUFMIFY-UHFFFAOYSA-N
MW350.24 g/mol
LogP-0.93
Rot. Bonds2

About furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)

furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione) (PubChem CID 175498641) has the molecular formula C14H10N2O9 and a molecular weight of 350.24 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)
PubChem CID175498641
Molecular FormulaC14H10N2O9
Molecular Weight350.24 g/mol
Exact Mass350.04
IUPAC Namefuran-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)
SMILESO=C(O)c1ccoc1C(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C6H4O5.2C4H3NO2/c7-5(8)3-1-2-11-4(3)6(9)10;2*6-3-1-2-4(7)5-3/h1-2H,(H,7,8)(H,9,10);2*1-2H,(H,5,6,7)
InChIKeyKTDHZPWGUFMIFY-UHFFFAOYSA-N
XLogP-0.93
TPSA180.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze furan-2,3-dicarboxylic acid;bis(pyrrole-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 furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)?
The IUPAC name of furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione) (CID 175498641) is furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione).
What is the SMILES notation for furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)?
The canonical SMILES for furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione) is O=C(O)c1ccoc1C(=O)O.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)?
The InChIKey is KTDHZPWGUFMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.2C4H3NO2/c7-5(8)3-1-2-11-4(3)6(9)10;2*6-3-1-2-4(7)5-3/h1-2H,(H,7,8)(H,9,10);2*1-2H,(H,5,6,7).
What are the key properties of furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione)?
furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione) has a molecular weight of 350.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 175498641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).