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

C11H11NO2 — CID 20574335

IUPAC4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C11H11NO2/c1-12-7-9(10(13)11(12)14)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyKWBHBCFYKWEVJU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.43
Rot. Bonds1

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

4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one (PubChem CID 20574335) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one
PubChem CID20574335
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C11H11NO2/c1-12-7-9(10(13)11(12)14)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyKWBHBCFYKWEVJU-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one (CID 20574335) is 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one is CN1CC(c2ccccc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one?
The InChIKey is KWBHBCFYKWEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-7-9(10(13)11(12)14)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).