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

C5H7NO2 — CID 54697241

IUPAC3-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=CC1=O
InChIInChI=1S/C5H7NO2/c1-6-3-4(7)2-5(6)8/h2,7H,3H2,1H3
InChIKeyRFWISZUJHWABBK-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.10
Rot. Bonds

About 3-hydroxy-1-methyl-2H-pyrrol-5-one

3-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 54697241) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID54697241
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=CC1=O
InChIInChI=1S/C5H7NO2/c1-6-3-4(7)2-5(6)8/h2,7H,3H2,1H3
InChIKeyRFWISZUJHWABBK-UHFFFAOYSA-N
XLogP-0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-methyl-2H-pyrrol-5-one (CID 54697241) is 3-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(O)=CC1=O.
What is the InChIKey of 3-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is RFWISZUJHWABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-6-3-4(7)2-5(6)8/h2,7H,3H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-2H-pyrrol-5-one?
3-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 54697241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).