sodium pyrrolidin-1-ide-2,5-dione

C4H4NNaO2 — CID 12621758

IUPACsodium pyrrolidin-1-ide-2,5-dione
SMILESO=C1CCC(=O)[N-]1.[Na+]
InChIInChI=1S/C4H5NO2.Na/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyYXXYTGAWNWNKJL-UHFFFAOYSA-M
MW121.07 g/mol
LogP-2.79
Rot. Bonds

About sodium pyrrolidin-1-ide-2,5-dione

sodium pyrrolidin-1-ide-2,5-dione (PubChem CID 12621758) has the molecular formula C4H4NNaO2 and a molecular weight of 121.07 g/mol. Its IUPAC name is sodium pyrrolidin-1-ide-2,5-dione.

Molecular Properties

Compound Namesodium pyrrolidin-1-ide-2,5-dione
PubChem CID12621758
Molecular FormulaC4H4NNaO2
Molecular Weight121.07 g/mol
Exact Mass121.01
IUPAC Namesodium pyrrolidin-1-ide-2,5-dione
SMILESO=C1CCC(=O)[N-]1.[Na+]
InChIInChI=1S/C4H5NO2.Na/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyYXXYTGAWNWNKJL-UHFFFAOYSA-M
XLogP-2.79
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.07
LogP ≤ 5-2.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 pyrrolidin-1-ide-2,5-dione?
The IUPAC name of sodium pyrrolidin-1-ide-2,5-dione (CID 12621758) is sodium pyrrolidin-1-ide-2,5-dione.
What is the SMILES notation for sodium pyrrolidin-1-ide-2,5-dione?
The canonical SMILES for sodium pyrrolidin-1-ide-2,5-dione is O=C1CCC(=O)[N-]1.[Na+].
What is the InChIKey of sodium pyrrolidin-1-ide-2,5-dione?
The InChIKey is YXXYTGAWNWNKJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO2.Na/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of sodium pyrrolidin-1-ide-2,5-dione?
sodium pyrrolidin-1-ide-2,5-dione has a molecular weight of 121.07 g/mol, XLogP of -2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyrrolidin-1-ide-2,5-dione is sourced from PubChem (CID 12621758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).