1-cyclopropyl-1H-pyrrole-2-carbonitrile

• ChemBase ID: 309534
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n1(C2CC2)c(C#N)ccc1
• Canonical SMILES: N#Cc1cccn1C1CC1
• InChI: InChI=1S/C8H8N2/c9-6-8-2-1-5-10(8)7-3-4-7/h1-2,5,7H,3-4H2
• InChIKey: LOJPUCILSACLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917025

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5184678
• LogD (pH = 7.4): 1.5184678
• Log P: 1.5184678
• Molar Refractivity: 38.5238 cm^3
• Polarizability: 14.582564 Å^3
• Polar Surface Area: 28.72 Å^2