sodium 1-oxidopyrrolidine-2,5-dione

C4H4NNaO3 — CID 23674578

IUPACsodium 1-oxidopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[O-].[Na+]
InChIInChI=1S/C4H4NO3.Na/c6-3-1-2-4(7)5(3)8;/h1-2H2;/q-1;+1
InChIKeyIARLBMZSSJJOCU-UHFFFAOYSA-N
MW137.07 g/mol
LogP-3.36
Rot. Bonds

About sodium 1-oxidopyrrolidine-2,5-dione

sodium 1-oxidopyrrolidine-2,5-dione (PubChem CID 23674578) has the molecular formula C4H4NNaO3 and a molecular weight of 137.07 g/mol. Its IUPAC name is sodium 1-oxidopyrrolidine-2,5-dione.

Molecular Properties

Compound Namesodium 1-oxidopyrrolidine-2,5-dione
PubChem CID23674578
Molecular FormulaC4H4NNaO3
Molecular Weight137.07 g/mol
Exact Mass137.01
IUPAC Namesodium 1-oxidopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[O-].[Na+]
InChIInChI=1S/C4H4NO3.Na/c6-3-1-2-4(7)5(3)8;/h1-2H2;/q-1;+1
InChIKeyIARLBMZSSJJOCU-UHFFFAOYSA-N
XLogP-3.36
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.07
LogP ≤ 5-3.36
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 sodium 1-oxidopyrrolidine-2,5-dione?
The IUPAC name of sodium 1-oxidopyrrolidine-2,5-dione (CID 23674578) is sodium 1-oxidopyrrolidine-2,5-dione.
What is the SMILES notation for sodium 1-oxidopyrrolidine-2,5-dione?
The canonical SMILES for sodium 1-oxidopyrrolidine-2,5-dione is O=C1CCC(=O)N1[O-].[Na+].
What is the InChIKey of sodium 1-oxidopyrrolidine-2,5-dione?
The InChIKey is IARLBMZSSJJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO3.Na/c6-3-1-2-4(7)5(3)8;/h1-2H2;/q-1;+1.
What are the key properties of sodium 1-oxidopyrrolidine-2,5-dione?
sodium 1-oxidopyrrolidine-2,5-dione has a molecular weight of 137.07 g/mol, XLogP of -3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-oxidopyrrolidine-2,5-dione is sourced from PubChem (CID 23674578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).