3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one

C20H19NO3 — CID 43842665

IUPAC3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H19NO3/c1-13(15-9-5-3-6-10-15)21-18(16-11-7-4-8-12-16)17(14(2)22)19(23)20(21)24/h3-13,18,23H,1-2H3
InChIKeyDXIXFLWVKWGALE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.73
Rot. Bonds4

About 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one (PubChem CID 43842665) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one
PubChem CID43842665
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H19NO3/c1-13(15-9-5-3-6-10-15)21-18(16-11-7-4-8-12-16)17(14(2)22)19(23)20(21)24/h3-13,18,23H,1-2H3
InChIKeyDXIXFLWVKWGALE-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one (CID 43842665) is 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(C(C)c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is DXIXFLWVKWGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13(15-9-5-3-6-10-15)21-18(16-11-7-4-8-12-16)17(14(2)22)19(23)20(21)24/h3-13,18,23H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 321.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-phenyl-1-(1-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 43842665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).