3-(bromomethyl)-1-(propan-2-yl)pyrrolidine

• ChemBase ID: 309780
• Molecular Formular: C8H16BrN
• Molecular Mass: 206.12334
• Monoisotopic Mass: 205.04661152
• SMILES: N1(CC(CC1)CBr)C(C)C
• Canonical SMILES: BrCC1CCN(C1)C(C)C
• InChI: InChI=1S/C8H16BrN/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6H2,1-2H3
• InChIKey: GETGPMUBCWOGTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-1-(propan-2-yl)pyrrolidine
• IUPAC Traditional name: 3-(bromomethyl)-1-isopropylpyrrolidine
• Synonyms: 3-(bromomethyl)-1-isopropylpyrrolidine

Database IDs

• MDL Number: MFCD19982755

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3359601
• LogD (pH = 7.4): 0.24365038
• Log P: 1.879288
• Molar Refractivity: 49.0325 cm^3
• Polarizability: 18.91597 Å^3
• Polar Surface Area: 3.24 Å^2