(1'R,8'S)-1-methyl-11'-oxa-3'-azaspiro[piperidine-4,4'-tricyclo[6.2.1.01,6]undecan]-9'-ene

• ChemBase ID: 194748
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: [C@@]123O[C@@H](C=C2)CC1CC1(NC3)CCN(CC1)C
• Canonical SMILES: CN1CCC2(CC1)NC[C@@]13C(C2)C[C@@H](O3)C=C1
• InChI: InChI=1S/C14H22N2O/c1-16-6-4-13(5-7-16)9-11-8-12-2-3-14(11,17-12)10-15-13/h2-3,11-12,15H,4-10H2,1H3/t11?,12-,14-/m1/s1
• InChIKey: IOXUZCGQDWCBPF-JWCMVYSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1'R,8'S)-1-methyl-11'-oxa-3'-azaspiro[piperidine-4,4'-tricyclo[6.2.1.0^1,^6]undecan]-9'-ene
• IUPAC Traditional name: (1'R,8'S)-1-methyl-11'-oxa-3'-azaspiro[piperidine-4,4'-tricyclo[6.2.1.0^1,^6]undecan]-9'-ene

Database IDs

• PubChem SID: 164250658
• PubChem CID: 16398390

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.659452
• LogD (pH = 7.4): -3.3611524
• Log P: 0.40695184
• Molar Refractivity: 68.9382 cm^3
• Polarizability: 27.106884 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds