2-cyclobutylpyrrolidine

• ChemBase ID: 269580
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N1C(C2CCC2)CCC1
• Canonical SMILES: C1CC(C1)C1CCCN1
• InChI: InChI=1S/C8H15N/c1-3-7(4-1)8-5-2-6-9-8/h7-9H,1-6H2
• InChIKey: LOYAIHRKONEJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylpyrrolidine
• IUPAC Traditional name: 2-cyclobutylpyrrolidine
• Synonyms: 2-cyclobutylpyrrolidine

Database IDs

• MDL Number: MFCD05189283
• PubChem SID: 164325490
• PubChem CID: 3434894

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7435929
• LogD (pH = 7.4): -1.6991794
• Log P: 1.4978321
• Molar Refractivity: 38.4476 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%