3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid

C11H13NO6S — CID 87188920

IUPAC3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1CC(O)(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO3.CH4O3S/c12-8-6-10(14,9(13)11-8)7-4-2-1-3-5-7;1-5(2,3)4/h1-5,14H,6H2,(H,11,12,13);1H3,(H,2,3,4)
InChIKeyVKSJTTOMEIOCJH-UHFFFAOYSA-N
MW287.29 g/mol
LogP-0.58
Rot. Bonds1

About 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid

3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid (PubChem CID 87188920) has the molecular formula C11H13NO6S and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid.

Molecular Properties

Compound Name3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
PubChem CID87188920
Molecular FormulaC11H13NO6S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1CC(O)(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO3.CH4O3S/c12-8-6-10(14,9(13)11-8)7-4-2-1-3-5-7;1-5(2,3)4/h1-5,14H,6H2,(H,11,12,13);1H3,(H,2,3,4)
InChIKeyVKSJTTOMEIOCJH-UHFFFAOYSA-N
XLogP-0.58
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid 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 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid?
The IUPAC name of 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid (CID 87188920) is 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid.
What is the SMILES notation for 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid?
The canonical SMILES for 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid is CS(=O)(=O)O.O=C1CC(O)(c2ccccc2)C(=O)N1.
What is the InChIKey of 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid?
The InChIKey is VKSJTTOMEIOCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3.CH4O3S/c12-8-6-10(14,9(13)11-8)7-4-2-1-3-5-7;1-5(2,3)4/h1-5,14H,6H2,(H,11,12,13);1H3,(H,2,3,4).
What are the key properties of 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid?
3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid has a molecular weight of 287.29 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid is sourced from PubChem (CID 87188920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).