3-(oxan-2-yloxy)pyrrolidine

• ChemBase ID: 18801
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: N1CCC(OC2OCCCC2)C1
• Canonical SMILES: C1CCC(OC1)OC1CNCC1
• InChI: InChI=1S/C9H17NO2/c1-2-6-11-9(3-1)12-8-4-5-10-7-8/h8-10H,1-7H2
• InChIKey: JCZDMBKPCOKANB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxan-2-yloxy)pyrrolidine
• IUPAC Traditional name: 3-(oxan-2-yloxy)pyrrolidine
• Synonyms: 3-(Tetrahydro-pyran-2-yloxy)-pyrrolidine

Database IDs

• MDL Number: MFCD08144713
• PubChem SID: 160982108
• PubChem CID: 6487605

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6251626
• LogD (pH = 7.4): -2.241272
• Log P: 0.6089151
• Molar Refractivity: 46.337 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false