octahydropyrrolo[3,2-b]pyrrole

• ChemBase ID: 282289
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: N1C2C(NCC2)CC1
• Canonical SMILES: C1CC2C(N1)CCN2
• InChI: InChI=1S/C6H12N2/c1-3-7-6-2-4-8-5(1)6/h5-8H,1-4H2
• InChIKey: GLUABPSZMHYCNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropyrrolo[3,2-b]pyrrole
• IUPAC Traditional name: octahydropyrrolo[3,2-b]pyrrole
• Synonyms: octahydropyrrolo[3,2-b]pyrrole

Database IDs

• MDL Number: MFCD17977180
• PubChem SID: 180667820
• PubChem CID: 15106927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.788257
• LogD (pH = 7.4): -3.9586601
• Log P: -0.6608782
• Molar Refractivity: 32.551 cm^3
• Polarizability: 13.381781 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.17

Product Information

• Purity: 95%