pyrrole-2,5-dione;sulfur monoxide

C4H3NO3S — CID 67998001

IUPACpyrrole-2,5-dione;sulfur monoxide
SMILESO=C1C=CC(=O)N1.O=S
InChIInChI=1S/C4H3NO2.OS/c6-3-1-2-4(7)5-3;1-2/h1-2H,(H,5,6,7);
InChIKeyKRRDHAKLZNQEDD-UHFFFAOYSA-N
MW145.14 g/mol
LogP-1.14
Rot. Bonds

About pyrrole-2,5-dione;sulfur monoxide

pyrrole-2,5-dione;sulfur monoxide (PubChem CID 67998001) has the molecular formula C4H3NO3S and a molecular weight of 145.14 g/mol. Its IUPAC name is pyrrole-2,5-dione;sulfur monoxide.

Molecular Properties

Compound Namepyrrole-2,5-dione;sulfur monoxide
PubChem CID67998001
Molecular FormulaC4H3NO3S
Molecular Weight145.14 g/mol
Exact Mass144.98
IUPAC Namepyrrole-2,5-dione;sulfur monoxide
SMILESO=C1C=CC(=O)N1.O=S
InChIInChI=1S/C4H3NO2.OS/c6-3-1-2-4(7)5-3;1-2/h1-2H,(H,5,6,7);
InChIKeyKRRDHAKLZNQEDD-UHFFFAOYSA-N
XLogP-1.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrole-2,5-dione;sulfur monoxide?
The IUPAC name of pyrrole-2,5-dione;sulfur monoxide (CID 67998001) is pyrrole-2,5-dione;sulfur monoxide.
What is the SMILES notation for pyrrole-2,5-dione;sulfur monoxide?
The canonical SMILES for pyrrole-2,5-dione;sulfur monoxide is O=C1C=CC(=O)N1.O=S.
What is the InChIKey of pyrrole-2,5-dione;sulfur monoxide?
The InChIKey is KRRDHAKLZNQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.OS/c6-3-1-2-4(7)5-3;1-2/h1-2H,(H,5,6,7);.
What are the key properties of pyrrole-2,5-dione;sulfur monoxide?
pyrrole-2,5-dione;sulfur monoxide has a molecular weight of 145.14 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2,5-dione;sulfur monoxide is sourced from PubChem (CID 67998001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).