octahydroindolizine-2-carboxamide

• ChemBase ID: 276847
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C1(C(=O)N)CN2C(C1)CCCC2
• Canonical SMILES: NC(=O)C1CC2N(C1)CCCC2
• InChI: InChI=1S/C9H16N2O/c10-9(12)7-5-8-3-1-2-4-11(8)6-7/h7-8H,1-6H2,(H2,10,12)
• InChIKey: UPJJAEWFTKIBOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizine-2-carboxamide
• IUPAC Traditional name: octahydroindolizine-2-carboxamide
• Synonyms: octahydroindolizine-2-carboxamide

Database IDs

• MDL Number: MFCD19382305
• PubChem SID: 164332757
• PubChem CID: 54594375

CALCULATED PROPERTIES

• Acid pKa: 16.616394
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4187589
• LogD (pH = 7.4): -3.1477659
• Log P: 0.07780949
• Molar Refractivity: 47.2494 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.131

Product Information

• Purity: 95%