5-ethyl-1H-pyrrole-2-carbaldehyde

• ChemBase ID: 309709
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: [nH]1c(ccc1CC)C=O
• Canonical SMILES: CCc1ccc([nH]1)C=O
• InChI: InChI=1S/C7H9NO/c1-2-6-3-4-7(5-9)8-6/h3-5,8H,2H2,1H3
• InChIKey: DGWZGZSZVXVVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-1H-pyrrole-2-carbaldehyde
• IUPAC Traditional name: 5-ethyl-1H-pyrrole-2-carbaldehyde
• Synonyms: 5-ethyl-1H-pyrrole-2-carbaldehyde

Database IDs

• MDL Number: MFCD19300736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4077171
• LogD (pH = 7.4): 1.4077171
• Log P: 1.4077171
• Molar Refractivity: 36.952 cm^3
• Polarizability: 13.536282 Å^3
• Polar Surface Area: 32.86 Å^2