3-(cyclopropylmethoxy)pyrrolidine

• ChemBase ID: 21003
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1C(CNC1)OCC1CC1
• Canonical SMILES: C1NCC(C1)OCC1CC1
• InChI: InChI=1S/C8H15NO/c1-2-7(1)6-10-8-3-4-9-5-8/h7-9H,1-6H2
• InChIKey: KUKDIWYMSLUVLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethoxy)pyrrolidine
• IUPAC Traditional name: 3-(cyclopropylmethoxy)pyrrolidine
• Synonyms: 3-(Cyclopropylmethoxy)pyrrolidine

Database IDs

• CAS Number: 932702-41-5
• MDL Number: MFCD08687524
• PubChem SID: 160984310
• PubChem CID: 45075449

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.745245
• LogD (pH = 7.4): -2.3643067
• Log P: 0.48892516
• Molar Refractivity: 40.2455 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false