1-benzyl-2-hydroxy-2H-pyrrol-5-one

C11H11NO2 — CID 11148175

IUPAC1-benzyl-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7,10,13H,8H2
InChIKeyAYQNQEOPOQEFRC-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.90
Rot. Bonds2

About 1-benzyl-2-hydroxy-2H-pyrrol-5-one

1-benzyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 11148175) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-benzyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID11148175
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-benzyl-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7,10,13H,8H2
InChIKeyAYQNQEOPOQEFRC-UHFFFAOYSA-N
XLogP0.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-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 1-benzyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-hydroxy-2H-pyrrol-5-one (CID 11148175) is 1-benzyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-hydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is AYQNQEOPOQEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7,10,13H,8H2.
What are the key properties of 1-benzyl-2-hydroxy-2H-pyrrol-5-one?
1-benzyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 189.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 11148175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).