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

C18H20ClNO3 — CID 92974600

IUPAC(2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1C1CCCCC1
InChIInChI=1S/C18H20ClNO3/c1-11(21)15-16(12-6-3-2-4-7-12)20(18(23)17(15)22)14-9-5-8-13(19)10-14/h5,8-10,12,16,22H,2-4,6-7H2,1H3/t16-/m1/s1
InChIKeyAYEWGKWGWGVEHB-MRXNPFEDSA-N
MW333.81 g/mol
LogP4.04
Rot. Bonds3

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

(2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 92974600) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID92974600
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC Name(2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1C1CCCCC1
InChIInChI=1S/C18H20ClNO3/c1-11(21)15-16(12-6-3-2-4-7-12)20(18(23)17(15)22)14-9-5-8-13(19)10-14/h5,8-10,12,16,22H,2-4,6-7H2,1H3/t16-/m1/s1
InChIKeyAYEWGKWGWGVEHB-MRXNPFEDSA-N
XLogP4.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (CID 92974600) is (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is AYEWGKWGWGVEHB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11(21)15-16(12-6-3-2-4-7-12)20(18(23)17(15)22)14-9-5-8-13(19)10-14/h5,8-10,12,16,22H,2-4,6-7H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
(2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 333.81 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-1-(3-chlorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 92974600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).