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

• ChemBase ID: 230919
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: C12(C(=O)NC(=O)N1)c1c(CC2)cccc1
• Canonical SMILES: O=C1NC(=O)C2(N1)CCc1c2cccc1
• InChI: InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)
• InChIKey: CDALGRHRPPTQPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6252-98-8
• MDL Number: MFCD03951077
• PubChem SID: 164286829
• PubChem CID: 233815

CALCULATED PROPERTIES

• Acid pKa: 9.812584
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0466031
• LogD (pH = 7.4): 1.0449668
• Log P: 1.0466241
• Molar Refractivity: 53.2793 cm^3
• Polarizability: 20.508423 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 0.911

Product Information

• Purity: 95%