(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

C13H12ClNO3 — CID 767338

IUPAC(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-3-5-9(14)6-4-8/h3-6,11,17H,1-2H3/t11-/m1/s1
InChIKeyKZTSJJQPRDRUOB-LLVKDONJSA-N
MW265.70 g/mol
LogP2.25
Rot. Bonds2

About (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one

(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 767338) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID767338
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-3-5-9(14)6-4-8/h3-6,11,17H,1-2H3/t11-/m1/s1
InChIKeyKZTSJJQPRDRUOB-LLVKDONJSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 767338) is (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is KZTSJJQPRDRUOB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7(16)10-11(15(2)13(18)12(10)17)8-3-5-9(14)6-4-8/h3-6,11,17H,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 265.70 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 767338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).