1-hydroxy-2H-pyrrol-3-one

C4H5NO2 — CID 22486317

IUPAC1-hydroxy-2H-pyrrol-3-one
SMILESO=C1C=CN(O)C1
InChIInChI=1S/C4H5NO2/c6-4-1-2-5(7)3-4/h1-2,7H,3H2
InChIKeyIRUHVWFVQLJFRG-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.23
Rot. Bonds

About 1-hydroxy-2H-pyrrol-3-one

1-hydroxy-2H-pyrrol-3-one (PubChem CID 22486317) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-hydroxy-2H-pyrrol-3-one.

Molecular Properties

Compound Name1-hydroxy-2H-pyrrol-3-one
PubChem CID22486317
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name1-hydroxy-2H-pyrrol-3-one
SMILESO=C1C=CN(O)C1
InChIInChI=1S/C4H5NO2/c6-4-1-2-5(7)3-4/h1-2,7H,3H2
InChIKeyIRUHVWFVQLJFRG-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

4-Pyridinol, 1-oxide
CID 23321
Vinylpyrrolinone
CID 11062331
Oxopyrroline oxide
CID 129814675
Methoxypyrrolinone
CID 129694810
1-oxo-2H-pyrrol-1-ium-3-one
CID 18533692
1-Hydroxypyrrole-2,3-dione
CID 21288355
1-(1,2,2-trideuterioethenyl)-2H-pyrrol-3-one
CID 10909524
1-oxido-2H-pyrrol-3-one
CID 129814676

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2H-pyrrol-3-one?
The IUPAC name of 1-hydroxy-2H-pyrrol-3-one (CID 22486317) is 1-hydroxy-2H-pyrrol-3-one.
What is the SMILES notation for 1-hydroxy-2H-pyrrol-3-one?
The canonical SMILES for 1-hydroxy-2H-pyrrol-3-one is O=C1C=CN(O)C1.
What is the InChIKey of 1-hydroxy-2H-pyrrol-3-one?
The InChIKey is IRUHVWFVQLJFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-4-1-2-5(7)3-4/h1-2,7H,3H2.
What are the key properties of 1-hydroxy-2H-pyrrol-3-one?
1-hydroxy-2H-pyrrol-3-one has a molecular weight of 99.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2H-pyrrol-3-one is sourced from PubChem (CID 22486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).