[(2S)-1-ethylpyrrolidin-2-yl]methanol

• ChemBase ID: 309965
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1([C@H](CO)CCC1)CC
• Canonical SMILES: OC[C@@H]1CCCN1CC
• InChI: InChI=1S/C7H15NO/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
• InChIKey: GHQCZUMSSZNLJP-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-1-ethylpyrrolidin-2-yl]methanol
• IUPAC Traditional name: [(2S)-1-ethylpyrrolidin-2-yl]methanol
• Synonyms: [(2S)-1-ethyl-2-pyrrolidinyl]methanol

Database IDs

• CAS Number: 35120-34-4
• MDL Number: MFCD19690680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.131333
• LogD (pH = 7.4): -2.1712503
• Log P: 0.32243994
• Molar Refractivity: 38.2402 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2