3-(oxolan-3-yl)pyrrolidine

• ChemBase ID: 242034
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1CC(C2COCC2)CC1
• Canonical SMILES: N1CCC(C1)C1CCOC1
• InChI: InChI=1S/C8H15NO/c1-3-9-5-7(1)8-2-4-10-6-8/h7-9H,1-6H2
• InChIKey: UCAOFWPBPHGGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-3-yl)pyrrolidine
• IUPAC Traditional name: 3-(oxolan-3-yl)pyrrolidine
• Synonyms: 3-(oxolan-3-yl)pyrrolidine

Database IDs

• MDL Number: MFCD16707136
• PubChem SID: 164297944
• PubChem CID: 62313629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1207495
• LogD (pH = 7.4): -3.0538194
• Log P: 0.12034832
• Molar Refractivity: 40.7269 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.098

Product Information

• Purity: 95%