octahydropyrrolo[3,4-c]pyrrole

• ChemBase ID: 288815
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: C12CNCC1CNC2
• Canonical SMILES: N1CC2C(C1)CNC2
• InChI: InChI=1S/C6H12N2/c1-5-2-8-4-6(5)3-7-1/h5-8H,1-4H2
• InChIKey: QFCMBRXRVQRSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropyrrolo[3,4-c]pyrrole
• IUPAC Traditional name: octahydropyrrolo[3,4-c]pyrrole
• Synonyms: Octahydropyrrolo[3,4-c]pyrrole

Database IDs

• CAS Number: 5840-00-6
• MDL Number: MFCD10000639
• PubChem SID: 180674346
• PubChem CID: 21867666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -7.3615093
• LogD (pH = 7.4): -6.0147038
• Log P: -1.0031035
• Molar Refractivity: 33.0082 cm^3
• Polarizability: 13.381781 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%