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

• ChemBase ID: 257684
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1(CC2C(NCC2)C1)C
• Canonical SMILES: CN1CC2C(C1)CCN2
• InChI: InChI=1S/C7H14N2/c1-9-4-6-2-3-8-7(6)5-9/h6-8H,2-5H2,1H3
• InChIKey: DLUDAUJQMXTXGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-octahydropyrrolo[2,3-c]pyrrole
• IUPAC Traditional name: 5-methyl-hexahydro-1H-pyrrolo[2,3-c]pyrrole
• Synonyms: 5-methyloctahydropyrrolo[3,4-b]pyrrole

Database IDs

• MDL Number: MFCD09702262
• PubChem SID: 164313594
• PubChem CID: 16228899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7326393
• LogD (pH = 7.4): -3.2797148
• Log P: -0.22024141
• Molar Refractivity: 37.9639 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.125

Product Information

• Purity: 95%