6-(morpholin-4-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799511
• Molecular Formular: C16H22N2O
• Molecular Mass: 258.35868
• Monoisotopic Mass: 258.17321333
• SMILES: C1COCCN1c1cc2C3(CCc2cc1)NCCC3
• Canonical SMILES: O1CCN(CC1)c1ccc2c(c1)C1(CCCN1)CC2
• InChI: InChI=1S/C16H22N2O/c1-5-16(17-7-1)6-4-13-2-3-14(12-15(13)16)18-8-10-19-11-9-18/h2-3,12,17H,1,4-11H2
• InChIKey: MYIMPBQYUULJDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• IUPAC Traditional name: 6-(morpholin-4-yl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• Synonyms: 4-(2,3-dihydrospiro[indene-1,2'-pyrrolidine]-6-yl)morpholine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9436701
• LogD (pH = 7.4): -0.7344191
• Log P: 2.2949286
• Molar Refractivity: 77.8205 cm^3
• Polarizability: 29.83722 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%