decahydropyrrolo[3,4-b]pyrrolizine

• ChemBase ID: 253627
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N12C3C(CC1CCC2)CNC3
• Canonical SMILES: N1CC2C(C1)N1C(C2)CCC1
• InChI: InChI=1S/C9H16N2/c1-2-8-4-7-5-10-6-9(7)11(8)3-1/h7-10H,1-6H2
• InChIKey: SYZQBOYLQBDNLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydropyrrolo[3,4-b]pyrrolizine
• IUPAC Traditional name: decahydropyrrolo[3,4-b]pyrrolizine
• Synonyms: decahydropyrrolo[3,4-b]pyrrolizine

Database IDs

• MDL Number: MFCD09040643
• PubChem SID: 164309537
• PubChem CID: 16227934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.401144
• LogD (pH = 7.4): -3.4717603
• Log P: 0.24532314
• Molar Refractivity: 45.1751 cm^3
• Polarizability: 18.181505 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.5

Product Information

• Purity: 95%