[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

C17H16FNO5 — CID 140833862

IUPAC[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2cccc(F)c2)C1=O
InChIInChI=1S/C17H16FNO5/c1-10(20)23-14-15(22)17(2,11-5-3-6-12(18)9-11)24-16(14)19-8-4-7-13(19)21/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHLLFKVAGFXUEKL-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.99
Rot. Bonds3

About [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 140833862) has the molecular formula C17H16FNO5 and a molecular weight of 333.31 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID140833862
Molecular FormulaC17H16FNO5
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2cccc(F)c2)C1=O
InChIInChI=1S/C17H16FNO5/c1-10(20)23-14-15(22)17(2,11-5-3-6-12(18)9-11)24-16(14)19-8-4-7-13(19)21/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHLLFKVAGFXUEKL-UHFFFAOYSA-N
XLogP1.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate 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 [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 140833862) is [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)OC1=C(N2CCCC2=O)OC(C)(c2cccc(F)c2)C1=O.
What is the InChIKey of [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is HLLFKVAGFXUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-10(20)23-14-15(22)17(2,11-5-3-6-12(18)9-11)24-16(14)19-8-4-7-13(19)21/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 333.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 140833862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).