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

C11H11NO2 — CID 59888190

IUPAC4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
SMILESCC1=C(O)CC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-8-10(13)7-11(14)12(8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyUBSVAIXYGYNUDG-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.21
Rot. Bonds1

About 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one

4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one (PubChem CID 59888190) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
PubChem CID59888190
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
SMILESCC1=C(O)CC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-8-10(13)7-11(14)12(8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyUBSVAIXYGYNUDG-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one (CID 59888190) is 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one is CC1=C(O)CC(=O)N1c1ccccc1.
What is the InChIKey of 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one?
The InChIKey is UBSVAIXYGYNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(13)7-11(14)12(8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one?
4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one is sourced from PubChem (CID 59888190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).