pyrrole-2,5-dione;sulfurous acid

C4H5NO5S — CID 159001370

IUPACpyrrole-2,5-dione;sulfurous acid
SMILESO=C1C=CC(=O)N1.O=S(O)O
InChIInChI=1S/C4H3NO2.H2O3S/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H,(H,5,6,7);(H2,1,2,3)
InChIKeyJRJIHFNILSNFIO-UHFFFAOYSA-N
MW179.15 g/mol
LogP-1.12
Rot. Bonds

About pyrrole-2,5-dione;sulfurous acid

pyrrole-2,5-dione;sulfurous acid (PubChem CID 159001370) has the molecular formula C4H5NO5S and a molecular weight of 179.15 g/mol. Its IUPAC name is pyrrole-2,5-dione;sulfurous acid.

Molecular Properties

Compound Namepyrrole-2,5-dione;sulfurous acid
PubChem CID159001370
Molecular FormulaC4H5NO5S
Molecular Weight179.15 g/mol
Exact Mass178.99
IUPAC Namepyrrole-2,5-dione;sulfurous acid
SMILESO=C1C=CC(=O)N1.O=S(O)O
InChIInChI=1S/C4H3NO2.H2O3S/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H,(H,5,6,7);(H2,1,2,3)
InChIKeyJRJIHFNILSNFIO-UHFFFAOYSA-N
XLogP-1.12
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Maleimide
CID 10935
Maleimide-water
CID 129656466
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
Pyrrole-2,5-dione;hydrochloride
CID 18790454
Hydron;pyrrole-2,5-dione
CID 19973391
Ethene;pyrrole-2,5-dione
CID 20089621
Methane;pyrrole-2,5-dione
CID 21421536
Azane;pyrrole-2,5-dione
CID 22315347
Carbonic acid;pyrrole-2,5-dione
CID 22338787
1-Tritiopyrrole-2,5-dione
CID 59061537
Hydron;pyrrole-2,5-dione;chloride
CID 66670805
1-Sulfidopyrrol-1-ium-2,5-dione
CID 66764535

Frequently Asked Questions

What is the IUPAC name of pyrrole-2,5-dione;sulfurous acid?
The IUPAC name of pyrrole-2,5-dione;sulfurous acid (CID 159001370) is pyrrole-2,5-dione;sulfurous acid.
What is the SMILES notation for pyrrole-2,5-dione;sulfurous acid?
The canonical SMILES for pyrrole-2,5-dione;sulfurous acid is O=C1C=CC(=O)N1.O=S(O)O.
What is the InChIKey of pyrrole-2,5-dione;sulfurous acid?
The InChIKey is JRJIHFNILSNFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.H2O3S/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H,(H,5,6,7);(H2,1,2,3).
What are the key properties of pyrrole-2,5-dione;sulfurous acid?
pyrrole-2,5-dione;sulfurous acid has a molecular weight of 179.15 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2,5-dione;sulfurous acid is sourced from PubChem (CID 159001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).