1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one

C11H9F2NO2 — CID 118342003

IUPAC1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2c(F)cccc2F)C1=O
InChIInChI=1S/C11H9F2NO2/c1-6-5-9(15)14(11(6)16)10-7(12)3-2-4-8(10)13/h2-5,9,15H,1H3
InChIKeyMKOBLIDKUJZBQE-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.58
Rot. Bonds1

About 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one

1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one (PubChem CID 118342003) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
PubChem CID118342003
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(c2c(F)cccc2F)C1=O
InChIInChI=1S/C11H9F2NO2/c1-6-5-9(15)14(11(6)16)10-7(12)3-2-4-8(10)13/h2-5,9,15H,1H3
InChIKeyMKOBLIDKUJZBQE-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-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 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one (CID 118342003) is 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one is CC1=CC(O)N(c2c(F)cccc2F)C1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
The InChIKey is MKOBLIDKUJZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-6-5-9(15)14(11(6)16)10-7(12)3-2-4-8(10)13/h2-5,9,15H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one?
1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one has a molecular weight of 225.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-hydroxy-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 118342003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).