3-cyclopropylpyrrolidine

• ChemBase ID: 245129
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1(CC1)C1CNCC1
• Canonical SMILES: C1NCC(C1)C1CC1
• InChI: InChI=1S/C7H13N/c1-2-6(1)7-3-4-8-5-7/h6-8H,1-5H2
• InChIKey: DIPYDHCEOYPCTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylpyrrolidine
• IUPAC Traditional name: 3-cyclopropylpyrrolidine
• Synonyms: 3-cyclopropylpyrrolidine

Database IDs

• MDL Number: MFCD16707058
• PubChem SID: 164301039
• PubChem CID: 53715280

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.395352
• LogD (pH = 7.4): -2.3289368
• Log P: 0.84575367
• Molar Refractivity: 34.0534 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%