2,3-dihydrospiro[indene-1,2'-morpholine]

• ChemBase ID: 242916
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: C12(c3c(CC1)cccc3)OCCNC2
• Canonical SMILES: C1COC2(CN1)CCc1c2cccc1
• InChI: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-12(11)9-13-7-8-14-12/h1-4,13H,5-9H2
• InChIKey: NUSTUPVYQBHZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19373766
• PubChem SID: 164298826
• PubChem CID: 64983186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.88678795
• LogD (pH = 7.4): 0.83014953
• Log P: 1.7810872
• Molar Refractivity: 55.8509 cm^3
• Polarizability: 22.063648 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.534

Product Information

• Purity: 95%