3-hydroxy-4-phenylpyrrole-2,5-dione

C10H7NO3 — CID 54707127

IUPAC3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C10H7NO3/c12-8-7(9(13)11-10(8)14)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyVISOTGQYFFULBK-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.61
Rot. Bonds1

About 3-hydroxy-4-phenylpyrrole-2,5-dione

3-hydroxy-4-phenylpyrrole-2,5-dione (PubChem CID 54707127) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-hydroxy-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-phenylpyrrole-2,5-dione
PubChem CID54707127
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-hydroxy-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C10H7NO3/c12-8-7(9(13)11-10(8)14)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyVISOTGQYFFULBK-UHFFFAOYSA-N
XLogP0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-phenylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-phenylpyrrole-2,5-dione (CID 54707127) is 3-hydroxy-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-phenylpyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2)=C1O.
What is the InChIKey of 3-hydroxy-4-phenylpyrrole-2,5-dione?
The InChIKey is VISOTGQYFFULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-8-7(9(13)11-10(8)14)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14).
What are the key properties of 3-hydroxy-4-phenylpyrrole-2,5-dione?
3-hydroxy-4-phenylpyrrole-2,5-dione has a molecular weight of 189.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 54707127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).