1,2-dihydroxy-2H-pyrrol-5-one

C4H5NO3 — CID 19838066

IUPAC1,2-dihydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1O
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h1-3,6,8H
InChIKeyKJHDGVMMPFKHCS-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.91
Rot. Bonds

About 1,2-dihydroxy-2H-pyrrol-5-one

1,2-dihydroxy-2H-pyrrol-5-one (PubChem CID 19838066) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 1,2-dihydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,2-dihydroxy-2H-pyrrol-5-one
PubChem CID19838066
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name1,2-dihydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1O
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h1-3,6,8H
InChIKeyKJHDGVMMPFKHCS-UHFFFAOYSA-N
XLogP-0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dihydroxy-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

Related Compounds

1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 10898807
Hydroxy-3-pyrrolin-2-one
CID 22725651
2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 12119960
1-fluoro-2-hydroxy-2H-pyrrol-5-one
CID 101203562
2-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
CID 12119959
2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 44472011
1-(1-Hydroxyprop-2-enyl)pyrrole-2,5-dione
CID 66809928
1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716
1-(1-hydroxyprop-2-enyl)-2H-pyrrol-5-one
CID 69775072
2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one
CID 90385916
(2R)-1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 117766136
1-(disulfanyl)-2-hydroxy-2H-pyrrol-5-one
CID 123264799

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-2H-pyrrol-5-one?
The IUPAC name of 1,2-dihydroxy-2H-pyrrol-5-one (CID 19838066) is 1,2-dihydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1,2-dihydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1,2-dihydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1O.
What is the InChIKey of 1,2-dihydroxy-2H-pyrrol-5-one?
The InChIKey is KJHDGVMMPFKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h1-3,6,8H.
What are the key properties of 1,2-dihydroxy-2H-pyrrol-5-one?
1,2-dihydroxy-2H-pyrrol-5-one has a molecular weight of 115.09 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 19838066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).