1-cyclopropyl-1H-pyrrole-2-carbaldehyde

• ChemBase ID: 309577
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: n1(C2CC2)c(ccc1)C=O
• Canonical SMILES: O=Cc1cccn1C1CC1
• InChI: InChI=1S/C8H9NO/c10-6-8-2-1-5-9(8)7-3-4-7/h1-2,5-7H,3-4H2
• InChIKey: PPAXARQIEKNOJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-1H-pyrrole-2-carbaldehyde
• IUPAC Traditional name: 1-cyclopropylpyrrole-2-carbaldehyde
• Synonyms: 1-cyclopropyl-1H-pyrrole-2-carbaldehyde

Database IDs

• CAS Number: 1039758-67-2
• MDL Number: MFCD12181369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.374874
• LogD (pH = 7.4): 1.374874
• Log P: 1.374874
• Molar Refractivity: 39.3862 cm^3
• Polarizability: 14.647132 Å^3
• Polar Surface Area: 22.0 Å^2