3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

C13H12FNO3 — CID 610237

IUPAC3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C13H12FNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-5-3-4-6-9(8)14/h3-6,11,17H,1-2H3
InChIKeyOMNLPRSJMBPUKQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.74
Rot. Bonds2

About 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 610237) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID610237
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C13H12FNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-5-3-4-6-9(8)14/h3-6,11,17H,1-2H3
InChIKeyOMNLPRSJMBPUKQ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 610237) is 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F.
What is the InChIKey of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is OMNLPRSJMBPUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-5-3-4-6-9(8)14/h3-6,11,17H,1-2H3.
What are the key properties of 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 249.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 610237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).