3-(oxolan-2-ylmethoxy)pyrrolidine

• ChemBase ID: 21026
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: N1CCC(OCC2OCCC2)C1
• Canonical SMILES: N1CCC(C1)OCC1CCCO1
• InChI: InChI=1S/C9H17NO2/c1-2-9(11-5-1)7-12-8-3-4-10-6-8/h8-10H,1-7H2
• InChIKey: OXFDYGSXJXYMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-2-ylmethoxy)pyrrolidine
• IUPAC Traditional name: 3-(oxolan-2-ylmethoxy)pyrrolidine
• Synonyms: 3-(Tetrahydro-2-furanylmethoxy)pyrrolidine

Database IDs

• MDL Number: MFCD08688542
• PubChem SID: 160984333
• PubChem CID: 45075473

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1072319
• LogD (pH = 7.4): -2.7262442
• Log P: 0.12693691
• Molar Refractivity: 46.5582 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false