1-oxidopyrrolidine-2,5-dione

C4H4NO3- — CID 11194364

IUPAC1-oxidopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[O-]
InChIInChI=1S/C4H4NO3/c6-3-1-2-4(7)5(3)8/h1-2H2/q-1
InChIKeyKVSFKOYIPAZYLG-UHFFFAOYSA-N
MW114.08 g/mol
LogP-0.37
Rot. Bonds

About 1-oxidopyrrolidine-2,5-dione

1-oxidopyrrolidine-2,5-dione (PubChem CID 11194364) has the molecular formula C4H4NO3- and a molecular weight of 114.08 g/mol. Its IUPAC name is 1-oxidopyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-oxidopyrrolidine-2,5-dione
PubChem CID11194364
Molecular FormulaC4H4NO3-
Molecular Weight114.08 g/mol
Exact Mass114.02
IUPAC Name1-oxidopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[O-]
InChIInChI=1S/C4H4NO3/c6-3-1-2-4(7)5(3)8/h1-2H2/q-1
InChIKeyKVSFKOYIPAZYLG-UHFFFAOYSA-N
XLogP-0.37
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrrolidine-2,5-dione?
The IUPAC name of 1-oxidopyrrolidine-2,5-dione (CID 11194364) is 1-oxidopyrrolidine-2,5-dione.
What is the SMILES notation for 1-oxidopyrrolidine-2,5-dione?
The canonical SMILES for 1-oxidopyrrolidine-2,5-dione is O=C1CCC(=O)N1[O-].
What is the InChIKey of 1-oxidopyrrolidine-2,5-dione?
The InChIKey is KVSFKOYIPAZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO3/c6-3-1-2-4(7)5(3)8/h1-2H2/q-1.
What are the key properties of 1-oxidopyrrolidine-2,5-dione?
1-oxidopyrrolidine-2,5-dione has a molecular weight of 114.08 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 1-oxidopyrrolidine-2,5-dione is sourced from PubChem (CID 11194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).