1-hydroxy-2H-pyrrol-5-one

C4H5NO2 — CID 22725651

IUPAC1-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CCN1O
InChIInChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-2,7H,3H2
InChIKeyUNBFIJXMQSWODB-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.23
Rot. Bonds

About 1-hydroxy-2H-pyrrol-5-one

1-hydroxy-2H-pyrrol-5-one (PubChem CID 22725651) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-hydroxy-2H-pyrrol-5-one
PubChem CID22725651
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name1-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CCN1O
InChIInChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-2,7H,3H2
InChIKeyUNBFIJXMQSWODB-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2H-pyrrol-5-one 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 1-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-hydroxy-2H-pyrrol-5-one (CID 22725651) is 1-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-hydroxy-2H-pyrrol-5-one is O=C1C=CCN1O.
What is the InChIKey of 1-hydroxy-2H-pyrrol-5-one?
The InChIKey is UNBFIJXMQSWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-2-1-3-5(4)7/h1-2,7H,3H2.
What are the key properties of 1-hydroxy-2H-pyrrol-5-one?
1-hydroxy-2H-pyrrol-5-one has a molecular weight of 99.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 22725651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).