4-methyl-octahydropyrrolo[3,4-b]morpholine

• ChemBase ID: 238396
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C12N(CCOC1CNC2)C
• Canonical SMILES: CN1CCOC2C1CNC2
• InChI: InChI=1S/C7H14N2O/c1-9-2-3-10-7-5-8-4-6(7)9/h6-8H,2-5H2,1H3
• InChIKey: PZUZDNGNEFEKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-octahydropyrrolo[3,4-b]morpholine
• IUPAC Traditional name: 4-methyl-hexahydro-2H-pyrrolo[3,4-b]morpholine
• Synonyms: 4-methyl-octahydropyrrolo[3,4-b]morpholine

Database IDs

• MDL Number: MFCD18071730
• PubChem SID: 164294306
• PubChem CID: 15069985

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6656542
• LogD (pH = 7.4): -2.95114
• Log P: -0.44472522
• Molar Refractivity: 39.1584 cm^3
• Polarizability: 15.91041 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.644

Product Information

• Purity: 95%