2,5-dimethyl-octahydropyrrolo[2,3-c]pyrrole

• ChemBase ID: 258374
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1C2C(CN(C2)C)CC1C
• Canonical SMILES: CC1NC2C(C1)CN(C2)C
• InChI: InChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(7)9-6/h6-9H,3-5H2,1-2H3
• InChIKey: SKJKLBZVGRVHNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-octahydropyrrolo[2,3-c]pyrrole
• IUPAC Traditional name: 2,5-dimethyl-hexahydro-1H-pyrrolo[2,3-c]pyrrole
• Synonyms: 2,5-dimethyl-octahydropyrrolo[2,3-c]pyrrole

Database IDs

• MDL Number: MFCD09702263
• PubChem SID: 164314284
• PubChem CID: 16228900

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2819154
• LogD (pH = 7.4): -2.8894112
• Log P: 0.19633362
• Molar Refractivity: 42.3827 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%