sodium;hydride;pyrrole-2,5-dione

C4H4NNaO2 — CID 173235296

IUPACsodium;hydride;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H3NO2.Na.H/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);;/q;+1;-1
InChIKeyJTBOJDZVQBLUCU-UHFFFAOYSA-N
MW121.07 g/mol
LogP-3.68
Rot. Bonds

About sodium;hydride;pyrrole-2,5-dione

sodium;hydride;pyrrole-2,5-dione (PubChem CID 173235296) has the molecular formula C4H4NNaO2 and a molecular weight of 121.07 g/mol. Its IUPAC name is sodium;hydride;pyrrole-2,5-dione.

Molecular Properties

Compound Namesodium;hydride;pyrrole-2,5-dione
PubChem CID173235296
Molecular FormulaC4H4NNaO2
Molecular Weight121.07 g/mol
Exact Mass121.01
IUPAC Namesodium;hydride;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H3NO2.Na.H/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);;/q;+1;-1
InChIKeyJTBOJDZVQBLUCU-UHFFFAOYSA-N
XLogP-3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.07
LogP ≤ 5-3.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrrole-2,5-dione;sulfane
CID 87579772
methane;tetrakis(pyrrole-2,5-dione)
CID 173442855
hydron;pyrrole-2,5-dione;chloride
CID 66670805
pyrrole-2,5-dione;sulfur monoxide
CID 67998001
sodium;pyrrole-2,5-dione;acetate
CID 174944502
pyrrole-2,5-dione;sulfurous acid
CID 159001370
ethane-1,1-diol;pyrrole-2,5-dione
CID 129050540
CID 66738743
CID 66738743
propane-1,3-diamine;pyrrole-2,5-dione
CID 118387813
heptane;pyrrole-2,5-dione
CID 159979894
oxomethylidenehydrazine;pyrrole-2,5-dione
CID 158643805
N-ethylhydroxylamine;pyrrole-2,5-dione
CID 174604531

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pyrrole-2,5-dione?
The IUPAC name of sodium;hydride;pyrrole-2,5-dione (CID 173235296) is sodium;hydride;pyrrole-2,5-dione.
What is the SMILES notation for sodium;hydride;pyrrole-2,5-dione?
The canonical SMILES for sodium;hydride;pyrrole-2,5-dione is O=C1C=CC(=O)N1.[H-].[Na+].
What is the InChIKey of sodium;hydride;pyrrole-2,5-dione?
The InChIKey is JTBOJDZVQBLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.Na.H/c6-3-1-2-4(7)5-3;;/h1-2H,(H,5,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;pyrrole-2,5-dione?
sodium;hydride;pyrrole-2,5-dione has a molecular weight of 121.07 g/mol, XLogP of -3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pyrrole-2,5-dione is sourced from PubChem (CID 173235296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).