5'-amino-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-2'-one

• ChemBase ID: 308192
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: C12(c3c(NC1=O)ccc(c3)N)OCCO2
• Canonical SMILES: O=C1Nc2c(C31OCCO3)cc(cc2)N
• InChI: InChI=1S/C10H10N2O3/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4,11H2,(H,12,13)
• InChIKey: JQKZSACVBHBOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5'-amino-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-2'-one
• IUPAC Traditional name: 5'-amino-1'H-spiro[1,3-dioxolane-2,3'-indole]-2'-one
• Synonyms: 5'-aminospiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one

Database IDs

• CAS Number: 113207-59-3
• MDL Number: MFCD06753253

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6019183
• LogD (pH = 7.4): 0.60513836
• Log P: 0.60519904
• Molar Refractivity: 54.6993 cm^3
• Polarizability: 20.005753 Å^3
• Polar Surface Area: 73.58 Å^2