1-(oxiran-2-ylmethyl)pyrrolidine

• ChemBase ID: 254621
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: O1C(C1)CN1CCCC1
• Canonical SMILES: C1CCN(C1)CC1CO1
• InChI: InChI=1S/C7H13NO/c1-2-4-8(3-1)5-7-6-9-7/h7H,1-6H2
• InChIKey: WRGDZAIBNCGSKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxiran-2-ylmethyl)pyrrolidine
• IUPAC Traditional name: 1-(oxiran-2-ylmethyl)pyrrolidine
• Synonyms: 1-(oxiran-2-ylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD06796924
• PubChem SID: 164310531
• PubChem CID: 13313617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.8641105
• LogD (pH = 7.4): -1.3938103
• Log P: 0.43723354
• Molar Refractivity: 36.2738 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 15.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.294

Product Information

• Purity: 95%