1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dione

• ChemBase ID: 261900
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: C12(C(=O)NC(=O)N1)Cc1c(C2)cccc1
• Canonical SMILES: O=C1NC(=O)NC21Cc1c(C2)cccc1
• InChI: InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H2,12,13,14,15)
• InChIKey: AKYSWRIZYDOSDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dione
• IUPAC Traditional name: 1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dione
• Synonyms: 1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dione

Database IDs

• MDL Number: MFCD01683900
• PubChem SID: 164317810
• PubChem CID: 279999

CALCULATED PROPERTIES

• Acid pKa: 10.164522
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8907073
• LogD (pH = 7.4): 0.8899788
• Log P: 0.89071655
• Molar Refractivity: 53.4333 cm^3
• Polarizability: 20.512112 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): 0.101

Product Information

• Purity: 95%