(1s,5s)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbaldehyde

• ChemBase ID: 222488
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: [C@@]12(C(=O)[C@](CN(C1)C=O)(CN(C2)C=O)C)C
• Canonical SMILES: O=CN1C[C@]2(C)CN(C[C@](C1)(C2=O)C)C=O
• InChI: InChI=1S/C11H16N2O3/c1-10-3-12(7-14)5-11(2,9(10)16)6-13(4-10)8-15/h7-8H,3-6H2,1-2H3/t10-,11+
• InChIKey: ITBLQHYWWDKLDP-PHIMTYICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,5s)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbaldehyde
• IUPAC Traditional name: (1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbaldehyde

Database IDs

• PubChem SID: 164278398
• PubChem CID: 35715214

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.606711
• LogD (pH = 7.4): -0.60669374
• Log P: -0.6066935
• Molar Refractivity: 57.1908 cm^3
• Polarizability: 22.09865 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds