2-(pyrrolidin-3-yl)propan-2-ol

• ChemBase ID: 310170
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(C1CNCC1)(O)(C)C
• Canonical SMILES: CC(C1CNCC1)(O)C
• InChI: InChI=1S/C7H15NO/c1-7(2,9)6-3-4-8-5-6/h6,8-9H,3-5H2,1-2H3
• InChIKey: IYRJODMZHWPACV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-3-yl)propan-2-ol
• IUPAC Traditional name: 2-(pyrrolidin-3-yl)propan-2-ol
• Synonyms: 2-(3-pyrrolidinyl)-2-propanol

Database IDs

• CAS Number: 351369-41-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3591187
• LogD (pH = 7.4): -3.1726184
• Log P: -0.12007838
• Molar Refractivity: 37.5929 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2