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

C15H13Cl2NO4 — CID 140834026

IUPAC1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2cccc(Cl)c2Cl)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13Cl2NO4/c1-15(8-4-2-5-9(16)11(8)17)13(21)12(20)14(22-15)18-7-3-6-10(18)19/h2,4-5,20H,3,6-7H2,1H3
InChIKeyRYFBHABNAMXEFN-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.16
Rot. Bonds2

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

1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (PubChem CID 140834026) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
PubChem CID140834026
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2cccc(Cl)c2Cl)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13Cl2NO4/c1-15(8-4-2-5-9(16)11(8)17)13(21)12(20)14(22-15)18-7-3-6-10(18)19/h2,4-5,20H,3,6-7H2,1H3
InChIKeyRYFBHABNAMXEFN-UHFFFAOYSA-N
XLogP3.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833727
1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833634
[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate
CID 140834002
1-[5-(2,6-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
CID 90081953
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609152
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
CID 67869814
[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833569
[5-(2,3-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753573
5-amino-2-(2-chlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90080941
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (CID 140834026) is 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is CC1(c2cccc(Cl)c2Cl)OC(N2CCCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The InChIKey is RYFBHABNAMXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-15(8-4-2-5-9(16)11(8)17)13(21)12(20)14(22-15)18-7-3-6-10(18)19/h2,4-5,20H,3,6-7H2,1H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one has a molecular weight of 342.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 140834026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).