1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one

C23H19NO2 — CID 72545892

IUPAC1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
SMILESO=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)16-23(26,20-14-8-3-9-15-20)24(22)17-18-10-4-1-5-11-18/h1-16,26H,17H2
InChIKeyCESMMVKOGLWJHB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.96
Rot. Bonds4

About 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one

1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one (PubChem CID 72545892) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
PubChem CID72545892
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
SMILESO=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)16-23(26,20-14-8-3-9-15-20)24(22)17-18-10-4-1-5-11-18/h1-16,26H,17H2
InChIKeyCESMMVKOGLWJHB-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The IUPAC name of 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one (CID 72545892) is 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The canonical SMILES for 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one is O=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The InChIKey is CESMMVKOGLWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-21(19-12-6-2-7-13-19)16-23(26,20-14-8-3-9-15-20)24(22)17-18-10-4-1-5-11-18/h1-16,26H,17H2.
What are the key properties of 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one is sourced from PubChem (CID 72545892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).