[(3R)-pyrrolidin-3-yl]methanol

• ChemBase ID: 799440
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C(O)[C@H]1CNCC1
• Canonical SMILES: OC[C@H]1CNCC1
• InChI: InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m1/s1
• InChIKey: QOTUIIJRVXKSJU-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3R)-pyrrolidin-3-yl]methanol
• IUPAC Traditional name: (3R)-pyrrolidin-3-ylmethanol
• Synonyms: (R)-Pyrrolidin-3-ylmethanol

Database IDs

• CAS Number: 110013-18-8

CALCULATED PROPERTIES

• Acid pKa: 15.429756
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.05618
• LogD (pH = 7.4): -3.8651216
• Log P: -0.81723005
• Molar Refractivity: 28.5359 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: 98%