3-(2-methoxyethyl)pyrrolidine

• ChemBase ID: 50163
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(CCOC)CC1
• Canonical SMILES: COCCC1CNCC1
• InChI: InChI=1S/C7H15NO/c1-9-5-3-7-2-4-8-6-7/h7-8H,2-6H2,1H3
• InChIKey: SKFLASNDSQYPGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)pyrrolidine
• IUPAC Traditional name: 3-(2-methoxyethyl)pyrrolidine
• Synonyms: 3-(2-Methoxyethyl)pyrrolidine

Database IDs

• MDL Number: MFCD13562882
• PubChem SID: 162054926
• PubChem CID: 53409233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.012218
• LogD (pH = 7.4): -2.9472027
• Log P: 0.22890837
• Molar Refractivity: 37.9869 cm^3
• Polarizability: 15.112169 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