1-hydroxypyrrole-2,3-dione

C4H3NO3 — CID 21288355

IUPAC1-hydroxypyrrole-2,3-dione
SMILESO=C1C=CN(O)C1=O
InChIInChI=1S/C4H3NO3/c6-3-1-2-5(8)4(3)7/h1-2,8H
InChIKeyYWKQTKLFJPIZIR-UHFFFAOYSA-N
MW113.07 g/mol
LogP-0.70
Rot. Bonds

About 1-hydroxypyrrole-2,3-dione

1-hydroxypyrrole-2,3-dione (PubChem CID 21288355) has the molecular formula C4H3NO3 and a molecular weight of 113.07 g/mol. Its IUPAC name is 1-hydroxypyrrole-2,3-dione.

Molecular Properties

Compound Name1-hydroxypyrrole-2,3-dione
PubChem CID21288355
Molecular FormulaC4H3NO3
Molecular Weight113.07 g/mol
Exact Mass113.01
IUPAC Name1-hydroxypyrrole-2,3-dione
SMILESO=C1C=CN(O)C1=O
InChIInChI=1S/C4H3NO3/c6-3-1-2-5(8)4(3)7/h1-2,8H
InChIKeyYWKQTKLFJPIZIR-UHFFFAOYSA-N
XLogP-0.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.07
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrole-2,3-dione?
The IUPAC name of 1-hydroxypyrrole-2,3-dione (CID 21288355) is 1-hydroxypyrrole-2,3-dione.
What is the SMILES notation for 1-hydroxypyrrole-2,3-dione?
The canonical SMILES for 1-hydroxypyrrole-2,3-dione is O=C1C=CN(O)C1=O.
What is the InChIKey of 1-hydroxypyrrole-2,3-dione?
The InChIKey is YWKQTKLFJPIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3/c6-3-1-2-5(8)4(3)7/h1-2,8H.
What are the key properties of 1-hydroxypyrrole-2,3-dione?
1-hydroxypyrrole-2,3-dione has a molecular weight of 113.07 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrole-2,3-dione is sourced from PubChem (CID 21288355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).