1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C17H15NO2 — CID 20574359

IUPAC1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H15NO2/c19-16-15(14-9-5-2-6-10-14)12-18(17(16)20)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2
InChIKeyXFWIZODLRWTDJO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.00
Rot. Bonds3

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

1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 20574359) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID20574359
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H15NO2/c19-16-15(14-9-5-2-6-10-14)12-18(17(16)20)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2
InChIKeyXFWIZODLRWTDJO-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 20574359) is 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is XFWIZODLRWTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-15(14-9-5-2-6-10-14)12-18(17(16)20)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2.
What are the key properties of 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 265.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).