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

C16H12FNO3S — CID 75793719

IUPAC2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C16H12FNO3S/c1-18-13(9-5-2-3-6-10(9)17)12(15(20)16(18)21)14(19)11-7-4-8-22-11/h2-8,13,20H,1H3
InChIKeyMLELLIYZUXKKDL-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.10
Rot. Bonds3

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

2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 75793719) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID75793719
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F
InChIInChI=1S/C16H12FNO3S/c1-18-13(9-5-2-3-6-10(9)17)12(15(20)16(18)21)14(19)11-7-4-8-22-11/h2-8,13,20H,1H3
InChIKeyMLELLIYZUXKKDL-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 75793719) is 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is MLELLIYZUXKKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-18-13(9-5-2-3-6-10(9)17)12(15(20)16(18)21)14(19)11-7-4-8-22-11/h2-8,13,20H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 317.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).