decahydropyrrolo[3,4-b]pyrrolizin-6-ol

• ChemBase ID: 280253
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N12C(CC3C1CNC3)CC(C2)O
• Canonical SMILES: OC1CN2C(C1)CC1C2CNC1
• InChI: InChI=1S/C9H16N2O/c12-8-2-7-1-6-3-10-4-9(6)11(7)5-8/h6-10,12H,1-5H2
• InChIKey: SJDZPADKNDLZRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydropyrrolo[3,4-b]pyrrolizin-6-ol
• IUPAC Traditional name: decahydropyrrolo[3,4-b]pyrrolizin-6-ol
• Synonyms: decahydropyrrolo[3,4-b]pyrrolizin-6-ol

Database IDs

• MDL Number: MFCD09702264
• PubChem SID: 180665784
• PubChem CID: 16228901

CALCULATED PROPERTIES

• Acid pKa: 14.837008
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.9671183
• LogD (pH = 7.4): -4.2128024
• Log P: -0.9023745
• Molar Refractivity: 46.493 cm^3
• Polarizability: 18.792353 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.67

Product Information

• Purity: 95%