3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one

C18H21NO3 — CID 544948

IUPAC3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H21NO3/c1-12(20)15-16(13-8-4-2-5-9-13)19(18(22)17(15)21)14-10-6-3-7-11-14/h2,4-5,8-9,14,16,21H,3,6-7,10-11H2,1H3
InChIKeyZVGYNZBWUXZHDI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.30
Rot. Bonds3

About 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one

3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 544948) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID544948
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H21NO3/c1-12(20)15-16(13-8-4-2-5-9-13)19(18(22)17(15)21)14-10-6-3-7-11-14/h2,4-5,8-9,14,16,21H,3,6-7,10-11H2,1H3
InChIKeyZVGYNZBWUXZHDI-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 544948) is 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ZVGYNZBWUXZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(20)15-16(13-8-4-2-5-9-13)19(18(22)17(15)21)14-10-6-3-7-11-14/h2,4-5,8-9,14,16,21H,3,6-7,10-11H2,1H3.
What are the key properties of 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 299.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclohexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 544948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).