1-benzyl-3-hydroxypyrrole-2,5-dione

C11H9NO3 — CID 54733254

IUPAC1-benzyl-3-hydroxypyrrole-2,5-dione
SMILESO=C1C=C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H9NO3/c13-9-6-10(14)12(11(9)15)7-8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyWQEBRIAYERFRRN-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.00
Rot. Bonds2

About 1-benzyl-3-hydroxypyrrole-2,5-dione

1-benzyl-3-hydroxypyrrole-2,5-dione (PubChem CID 54733254) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-benzyl-3-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-hydroxypyrrole-2,5-dione
PubChem CID54733254
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-benzyl-3-hydroxypyrrole-2,5-dione
SMILESO=C1C=C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H9NO3/c13-9-6-10(14)12(11(9)15)7-8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyWQEBRIAYERFRRN-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-benzyl-3-hydroxypyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one
CID 10060335
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
CID 16647809
1-benzyl-4-hydroxy-3H-pyrrol-2-one
CID 141267473
1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione
CID 167897715
2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
1-benzyl-3-methylidenepiperidine-2,6-dione
CID 14335282
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 12958495
1-benzyl-5,6-dihydro-4H-indol-2-one
CID 12827997
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
CID 16647792

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-hydroxypyrrole-2,5-dione (CID 54733254) is 1-benzyl-3-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-hydroxypyrrole-2,5-dione is O=C1C=C(O)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxypyrrole-2,5-dione?
The InChIKey is WQEBRIAYERFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-6-10(14)12(11(9)15)7-8-4-2-1-3-5-8/h1-6,13H,7H2.
What are the key properties of 1-benzyl-3-hydroxypyrrole-2,5-dione?
1-benzyl-3-hydroxypyrrole-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 54733254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).