1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

C15H14ClNO4 — CID 118262099

IUPAC1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2ccc(Cl)cc2)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H14ClNO4/c1-15(9-4-6-10(16)7-5-9)13(20)12(19)14(21-15)17-8-2-3-11(17)18/h4-7,19H,2-3,8H2,1H3
InChIKeyBQOJIKHPTAJKAC-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.50
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (PubChem CID 118262099) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
PubChem CID118262099
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2ccc(Cl)cc2)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H14ClNO4/c1-15(9-4-6-10(16)7-5-9)13(20)12(19)14(21-15)17-8-2-3-11(17)18/h4-7,19H,2-3,8H2,1H3
InChIKeyBQOJIKHPTAJKAC-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2,5-Difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833556
1-[5-(2-Chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833564
1-[5-(2-Chloro-6-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833587
1-[5-(5-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833632
1-[5-(5-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833634
1-[5-(3-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833644
1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833722
1-[5-(3-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833727
1-[5-(4-Fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833742
1-[5-(2,6-Difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833772
1-[5-(2-Chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833774

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (CID 118262099) is 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is CC1(c2ccc(Cl)cc2)OC(N2CCCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The InChIKey is BQOJIKHPTAJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-15(9-4-6-10(16)7-5-9)13(20)12(19)14(21-15)17-8-2-3-11(17)18/h4-7,19H,2-3,8H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one has a molecular weight of 307.73 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 118262099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).