1-(5-bromofuran-2-carbonyl)pyrrolidine

• ChemBase ID: 310701
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: c1(C(=O)N2CCCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)N1CCCC1
• InChI: InChI=1S/C9H10BrNO2/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2
• InChIKey: CHXUGJXTWLFHHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromofuran-2-carbonyl)pyrrolidine
• IUPAC Traditional name: 1-(5-bromofuran-2-carbonyl)pyrrolidine
• Synonyms: 1-(5-bromo-2-furoyl)pyrrolidine

Database IDs

• CAS Number: 157642-10-9
• MDL Number: MFCD00460935

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2063905
• LogD (pH = 7.4): 1.2063905
• Log P: 1.2063905
• Molar Refractivity: 52.2665 cm^3
• Polarizability: 19.722775 Å^3
• Polar Surface Area: 33.45 Å^2