N-methyl-N-[(1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide hydrochloride

• ChemBase ID: 187792
• Molecular Formular: C10H17ClN2O2
• Molecular Mass: 232.70718
• Monoisotopic Mass: 232.09785547
• SMILES: [C@@H]1([C@H]2N3C[C@H]1O[C@@H]2CC3)N(C(=O)C)C.Cl
• Canonical SMILES: CC(=O)N([C@@H]1[C@H]2CN3[C@H]1[C@H](O2)CC3)C.Cl
• InChI: InChI=1S/C10H16N2O2.ClH/c1-6(13)11(2)9-8-5-12-4-3-7(14-8)10(9)12;/h7-10H,3-5H2,1-2H3;1H/t7-,8+,9-,10?;/m1./s1
• InChIKey: NIDCDQRFYFEHKL-MEWGLKADSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.0^3,^7]nonan-8-yl]acetamide hydrochloride
• IUPAC Traditional name: N-methyl-N-[(1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.0^3,^7]nonan-8-yl]acetamide hydrochloride

Database IDs

• PubChem SID: 164243702
• PubChem CID: 52993546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3622625
• LogD (pH = 7.4): -0.980254
• Log P: -0.826814
• Molar Refractivity: 50.9611 cm^3
• Polarizability: 20.414381 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Genuine Natural Compounds