(2-methylpyrrolidin-2-yl)methanol

• ChemBase ID: 309400
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1C(CO)(C)CCC1
• Canonical SMILES: OCC1(C)CCCN1
• InChI: InChI=1S/C6H13NO/c1-6(5-8)3-2-4-7-6/h7-8H,2-5H2,1H3
• InChIKey: BJOWRJDUPYOCEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpyrrolidin-2-yl)methanol
• IUPAC Traditional name: (2-methylpyrrolidin-2-yl)methanol
• Synonyms: (2-methyl-2-pyrrolidinyl)methanol

Database IDs

• CAS Number: 955029-45-5
• MDL Number: MFCD14582613

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3757586
• LogD (pH = 7.4): -3.1831794
• Log P: -0.13683929
• Molar Refractivity: 32.8351 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2