1,3-dihydrospiro[indene-2,3'-pyrrolidine]-2',5'-dione

• ChemBase ID: 267801
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: C12(C(=O)NC(=O)C2)Cc2c(C1)cccc2
• Canonical SMILES: O=C1NC(=O)CC21Cc1c(C2)cccc1
• InChI: InChI=1S/C12H11NO2/c14-10-7-12(11(15)13-10)5-8-3-1-2-4-9(8)6-12/h1-4H,5-7H2,(H,13,14,15)
• InChIKey: YYHWTVHCUYAVTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]-2',5'-dione
• IUPAC Traditional name: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]-2',5'-dione
• Synonyms: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]-2',5'-dione

Database IDs

• MDL Number: MFCD12067435
• PubChem SID: 164323711
• PubChem CID: 12790937

CALCULATED PROPERTIES

• Acid pKa: 10.417271
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2890233
• LogD (pH = 7.4): 1.2886161
• Log P: 1.2890285
• Molar Refractivity: 54.6909 cm^3
• Polarizability: 21.20087 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 0.77

Product Information

• Purity: 95%