3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

C13H12FNO3 — CID 155576505

IUPAC3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)NC1c1ccc(C)cc1F
InChIInChI=1S/C13H12FNO3/c1-6-3-4-8(9(14)5-6)11-10(7(2)16)12(17)13(18)15-11/h3-5,11,17H,1-2H3,(H,15,18)
InChIKeyPOVYJFQFMPEJDG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.71
Rot. Bonds2

About 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 155576505) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID155576505
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)NC1c1ccc(C)cc1F
InChIInChI=1S/C13H12FNO3/c1-6-3-4-8(9(14)5-6)11-10(7(2)16)12(17)13(18)15-11/h3-5,11,17H,1-2H3,(H,15,18)
InChIKeyPOVYJFQFMPEJDG-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(4S)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781415
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
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(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
methyl (6R)-6-(2,4-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449396
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 155576505) is 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is CC(=O)C1=C(O)C(=O)NC1c1ccc(C)cc1F.
What is the InChIKey of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is POVYJFQFMPEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-6-3-4-8(9(14)5-6)11-10(7(2)16)12(17)13(18)15-11/h3-5,11,17H,1-2H3,(H,15,18).
What are the key properties of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 249.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 155576505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).