sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione

C4H5INNaO5S — CID 175003776

IUPACsodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1I.O=S([O-])O.[Na+]
InChIInChI=1S/C4H4INO2.Na.H2O3S/c5-6-3(7)1-2-4(6)8;;1-4(2)3/h1-2H2;;(H2,1,2,3)/q;+1;/p-1
InChIKeyGWUYVGFAVRWTJS-UHFFFAOYSA-M
MW329.05 g/mol
LogP-3.17
Rot. Bonds

About sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione

sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione (PubChem CID 175003776) has the molecular formula C4H5INNaO5S and a molecular weight of 329.05 g/mol. Its IUPAC name is sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione.

Molecular Properties

Compound Namesodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
PubChem CID175003776
Molecular FormulaC4H5INNaO5S
Molecular Weight329.05 g/mol
Exact Mass328.88
IUPAC Namesodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1I.O=S([O-])O.[Na+]
InChIInChI=1S/C4H4INO2.Na.H2O3S/c5-6-3(7)1-2-4(6)8;;1-4(2)3/h1-2H2;;(H2,1,2,3)/q;+1;/p-1
InChIKeyGWUYVGFAVRWTJS-UHFFFAOYSA-M
XLogP-3.17
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.05
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

sodium;hydrogen sulfite;sulfurous acid
CID 173350028
sodium;zinc;hydrogen sulfite
CID 160800284
silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate
CID 174737043
iodanium;disodium;hydrogen sulfite;sulfite
CID 172740799
trisodium;hydrogen sulfite;bromide;chloride
CID 172849286
1-bromopyrrolidine-2,5-dione;1-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
CID 159582577
1-iodopyrrolidine-2,5-dione;pyridine;trihydrobromide
CID 175123827
hydrogen sulfite;tantalum
CID 175264053
1-iodopyrrolidine-2,5-dione;trimethylsilyl trifluoromethanesulfonate
CID 87435306
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
carbanide;hydrogen sulfite;yttrium
CID 59749641
dimagnesium;hydrogen sulfite;sulfite
CID 158769283

Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione?
The IUPAC name of sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione (CID 175003776) is sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione.
What is the SMILES notation for sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione?
The canonical SMILES for sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione is O=C1CCC(=O)N1I.O=S([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione?
The InChIKey is GWUYVGFAVRWTJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4INO2.Na.H2O3S/c5-6-3(7)1-2-4(6)8;;1-4(2)3/h1-2H2;;(H2,1,2,3)/q;+1;/p-1.
What are the key properties of sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione?
sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione has a molecular weight of 329.05 g/mol, XLogP of -3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione is sourced from PubChem (CID 175003776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).