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

• ChemBase ID: 242450
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CC(O)C)CCC1
• Canonical SMILES: CC(CC1CCCN1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)5-7-3-2-4-8-7/h6-9H,2-5H2,1H3
• InChIKey: YNOPDCKXNICFQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-2-yl)propan-2-ol
• IUPAC Traditional name: 1-(pyrrolidin-2-yl)propan-2-ol
• Synonyms: 1-(pyrrolidin-2-yl)propan-2-ol

Database IDs

• MDL Number: MFCD19217178
• PubChem SID: 164298360
• PubChem CID: 12313545

CALCULATED PROPERTIES

• Acid pKa: 15.614122
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1804764
• LogD (pH = 7.4): -3.0230725
• Log P: 0.05911882
• Molar Refractivity: 37.4811 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.258

Product Information

• Purity: 95%