[(2S)-pyrrolidin-2-yl]methanol

• ChemBase ID: 797511
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1CCC[C@H]1CO
• Canonical SMILES: OC[C@@H]1CCCN1
• InChI: InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
• InChIKey: HVVNJUAVDAZWCB-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-pyrrolidin-2-yl]methanol
• IUPAC Traditional name: prolinol
• Synonyms: L-(+)-Prolinol

Database IDs

• CAS Number: 23356-96-9

CALCULATED PROPERTIES

• Acid pKa: 15.121073
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6555982
• LogD (pH = 7.4): -3.4277017
• Log P: -0.41741595
• Molar Refractivity: 28.1969 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%