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

C17H16ClNO5 — CID 118262114

IUPAC[5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H16ClNO5/c1-10(20)23-14-15(22)17(2,11-5-7-12(18)8-6-11)24-16(14)19-9-3-4-13(19)21/h5-8H,3-4,9H2,1-2H3
InChIKeyYYUMTDYGWCFUHL-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.51
Rot. Bonds3

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

[5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 118262114) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID118262114
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name[5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H16ClNO5/c1-10(20)23-14-15(22)17(2,11-5-7-12(18)8-6-11)24-16(14)19-9-3-4-13(19)21/h5-8H,3-4,9H2,1-2H3
InChIKeyYYUMTDYGWCFUHL-UHFFFAOYSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 132139298
1-[5-(2-Chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833564
[5-(2,5-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833602
1-[5-(5-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833632
1-[5-(3-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833644
[5-(3,4-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833709
1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833722
[5-(2,6-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833732
1-[5-(4-Chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833776
[5-(2-Chloro-5-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833802
[5-(3-Fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833862
[5-(4-Fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833901

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 118262114) is [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is YYUMTDYGWCFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-10(20)23-14-15(22)17(2,11-5-7-12(18)8-6-11)24-16(14)19-9-3-4-13(19)21/h5-8H,3-4,9H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 349.77 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 118262114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).