2-(1H-pyrrol-2-yl)-1H-pyrrole

• ChemBase ID: 162135
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c1cc([nH]c1)c1[nH]ccc1
• Canonical SMILES: c1ccc([nH]1)c1ccc[nH]1
• InChI: InChI=1S/C8H8N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6,9-10H
• InChIKey: ULUNQYODBKLBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-pyrrol-2-yl)-1H-pyrrole
• IUPAC Traditional name: 2-(1H-pyrrol-2-yl)-1H-pyrrole
• Synonyms: 2,2'-Bi-1H-pyrrole; 2,2'-Bispyrrole; NSC 90886; 2,2'-Bipyrrole

Database IDs

• CAS Number: 10087-64-6
• PubChem SID: 162256270
• PubChem CID: 260036

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 1.6202416
• LogD (pH = 7.4): 1.6202416
• Log P: 1.6202416
• Molar Refractivity: 40.4668 cm^3
• Polarizability: 16.750792 Å^3
• Polar Surface Area: 31.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.084242

DETAILS

Toronto Research Chemicals - B399600

2,2'-Bipyrrole is used as a facilitator in the electrochemical polymerization of pyrrole and N-methylpyrrole.

REFERENCES

• Wei, Y. et al.: Makromol. Chem. Rap. Comm., 12, 617 (1991)
• Tran, H. et al.: Macromol. Rap. Comm., 28, 2289 (1991)