1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione

C15H12ClNO5 — CID 140681900

IUPAC1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2C(=O)CCC2=O)O1
InChIInChI=1S/C15H12ClNO5/c1-8-13(20)14(21)15(22-8,9-2-4-10(16)5-3-9)17-11(18)6-7-12(17)19/h2-5,20H,6-7H2,1H3
InChIKeyWKKYOBCWECZTDH-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.03
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione

1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 140681900) has the molecular formula C15H12ClNO5 and a molecular weight of 321.72 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
PubChem CID140681900
Molecular FormulaC15H12ClNO5
Molecular Weight321.72 g/mol
Exact Mass321.04
IUPAC Name1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2C(=O)CCC2=O)O1
InChIInChI=1S/C15H12ClNO5/c1-8-13(20)14(21)15(22-8,9-2-4-10(16)5-3-9)17-11(18)6-7-12(17)19/h2-5,20H,6-7H2,1H3
InChIKeyWKKYOBCWECZTDH-UHFFFAOYSA-N
XLogP2.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833722
1-[5-(4-Chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834044
1-[5-(4-Chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 118262102
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
CID 140681886
[5-(4-Chlorophenyl)-2-methyl-4-oxo-5-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140681890
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
CID 140681891
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
CID 140681893
[5-(4-Chlorophenyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681897
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
CID 140681898
4-bromo-N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]butanamide
CID 140681903
1-[5-(2-Chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione (CID 140681900) is 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione is CC1=C(O)C(=O)C(c2ccc(Cl)cc2)(N2C(=O)CCC2=O)O1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is WKKYOBCWECZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO5/c1-8-13(20)14(21)15(22-8,9-2-4-10(16)5-3-9)17-11(18)6-7-12(17)19/h2-5,20H,6-7H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione?
1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 321.72 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 140681900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).