(2-ethylpyrrolidin-2-yl)methanol

• ChemBase ID: 309467
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CO)(CC)CCC1
• Canonical SMILES: CCC1(CO)CCCN1
• InChI: InChI=1S/C7H15NO/c1-2-7(6-9)4-3-5-8-7/h8-9H,2-6H2,1H3
• InChIKey: MUDJTIDXZWKQJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylpyrrolidin-2-yl)methanol
• IUPAC Traditional name: (2-ethylpyrrolidin-2-yl)methanol
• Synonyms: (2-ethyl-2-pyrrolidinyl)methanol

Database IDs

• CAS Number: 1205749-92-3
• MDL Number: MFCD14582614

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8540242
• LogD (pH = 7.4): -2.702732
• Log P: 0.38568312
• Molar Refractivity: 37.3591 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2