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

• ChemBase ID: 799505
• Molecular Formular: C13H17NO
• Molecular Mass: 203.28018
• Monoisotopic Mass: 203.13101417
• SMILES: C1C2(c3ccc(cc3C1)OC)NCCC2
• Canonical SMILES: COc1ccc2c(c1)CCC12CCCN1
• InChI: InChI=1S/C13H17NO/c1-15-11-3-4-12-10(9-11)5-7-13(12)6-2-8-14-13/h3-4,9,14H,2,5-8H2,1H3
• InChIKey: DLXUWECXOLMPER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9897465
• LogD (pH = 7.4): -0.7299041
• Log P: 2.2477138
• Molar Refractivity: 60.7806 cm^3
• Polarizability: 23.89369 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%