ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate

• ChemBase ID: 287702
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: O=C(c1cc2oc(C)cc2[nH]1)OCC
• Canonical SMILES: CCOC(=O)c1cc2c([nH]1)cc(o2)C
• InChI: InChI=1S/C10H11NO3/c1-3-13-10(12)8-5-9-7(11-8)4-6(2)14-9/h4-5,11H,3H2,1-2H3
• InChIKey: GDOXDFUPXCOUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
• IUPAC Traditional name: ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
• Synonyms: Ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate

Database IDs

• CAS Number: 80709-78-0
• PubChem SID: 180673233
• PubChem CID: 12733393

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7214924
• LogD (pH = 7.4): 1.7207578
• Log P: 1.7215018
• Molar Refractivity: 51.3365 cm^3
• Polarizability: 20.451754 Å^3
• Polar Surface Area: 55.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.108997

PROPERTIES

Product Information

• Purity: 95+%