(3R,9R)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

• ChemBase ID: 205145
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N12C(=O)[C@@H]3N(C(=O)[C@H]1CCC2)CCC3
• Canonical SMILES: O=C1[C@H]2CCCN2C(=O)[C@@H]2N1CCC2
• InChI: InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8-/m1/s1
• InChIKey: BKASXWPLSXFART-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,9R)-1,7-diazatricyclo[7.3.0.0^3,^7]dodecane-2,8-dione
• IUPAC Traditional name: (3R,9R)-1,7-diazatricyclo[7.3.0.0^3,^7]dodecane-2,8-dione

Database IDs

• PubChem SID: 164261055
• PubChem CID: 6932481

CALCULATED PROPERTIES

• Acid pKa: 19.602194
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.52770686
• LogD (pH = 7.4): -0.52770686
• Log P: -0.52770686
• Molar Refractivity: 49.973 cm^3
• Polarizability: 19.429638 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds