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

• ChemBase ID: 270884
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: C12(C(=O)NC(=O)N1)c1c(CC2)c(O)ccc1
• Canonical SMILES: Oc1cccc2c1CCC12NC(=O)NC1=O
• InChI: InChI=1S/C11H10N2O3/c14-8-3-1-2-7-6(8)4-5-11(7)9(15)12-10(16)13-11/h1-3,14H,4-5H2,(H2,12,13,15,16)
• InChIKey: RJOHKUGWVBTTHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982332
• PubChem SID: 164326794
• PubChem CID: 54592570

CALCULATED PROPERTIES

• Acid pKa: 9.096904
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.74294966
• LogD (pH = 7.4): 0.73445493
• Log P: 0.74305874
• Molar Refractivity: 55.2602 cm^3
• Polarizability: 21.153885 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%