3-(2-ethoxyethyl)pyrrolidine

• ChemBase ID: 50164
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CC(CCOCC)CC1
• Canonical SMILES: CCOCCC1CNCC1
• InChI: InChI=1S/C8H17NO/c1-2-10-6-4-8-3-5-9-7-8/h8-9H,2-7H2,1H3
• InChIKey: IPGCQZXMWOKOGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethoxyethyl)pyrrolidine
• IUPAC Traditional name: 3-(2-ethoxyethyl)pyrrolidine
• Synonyms: 3-(2-Ethoxyethyl)pyrrolidine

Database IDs

• MDL Number: MFCD13562883
• PubChem SID: 162054927
• PubChem CID: 53409216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.65541
• LogD (pH = 7.4): -2.5903947
• Log P: 0.5857163
• Molar Refractivity: 42.7355 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false