oxalic acid;pyrrolidine-2,5-dione

C6H7NO6 — CID 19913999

IUPACoxalic acid;pyrrolidine-2,5-dione
SMILESO=C(O)C(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C2H2O4/c6-3-1-2-4(7)5-3;3-1(4)2(5)6/h1-2H2,(H,5,6,7);(H,3,4)(H,5,6)
InChIKeyGSJFICIEPOAQHQ-UHFFFAOYSA-N
MW189.12 g/mol
LogP-1.42
Rot. Bonds

About oxalic acid;pyrrolidine-2,5-dione

oxalic acid;pyrrolidine-2,5-dione (PubChem CID 19913999) has the molecular formula C6H7NO6 and a molecular weight of 189.12 g/mol. Its IUPAC name is oxalic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameoxalic acid;pyrrolidine-2,5-dione
PubChem CID19913999
Molecular FormulaC6H7NO6
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Nameoxalic acid;pyrrolidine-2,5-dione
SMILESO=C(O)C(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C2H2O4/c6-3-1-2-4(7)5-3;3-1(4)2(5)6/h1-2H2,(H,5,6,7);(H,3,4)(H,5,6)
InChIKeyGSJFICIEPOAQHQ-UHFFFAOYSA-N
XLogP-1.42
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;pyrrolidine-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 oxalic acid;pyrrolidine-2,5-dione?
The IUPAC name of oxalic acid;pyrrolidine-2,5-dione (CID 19913999) is oxalic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for oxalic acid;pyrrolidine-2,5-dione?
The canonical SMILES for oxalic acid;pyrrolidine-2,5-dione is O=C(O)C(=O)O.O=C1CCC(=O)N1.
What is the InChIKey of oxalic acid;pyrrolidine-2,5-dione?
The InChIKey is GSJFICIEPOAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H2O4/c6-3-1-2-4(7)5-3;3-1(4)2(5)6/h1-2H2,(H,5,6,7);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pyrrolidine-2,5-dione?
oxalic acid;pyrrolidine-2,5-dione has a molecular weight of 189.12 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 19913999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).