1-(pyrrolidin-1-yl)cyclobutane-1-carbonitrile

• ChemBase ID: 800394
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C1(CCC1)(C#N)N1CCCC1
• Canonical SMILES: N#CC1(CCC1)N1CCCC1
• InChI: InChI=1S/C9H14N2/c10-8-9(4-3-5-9)11-6-1-2-7-11/h1-7H2
• InChIKey: HRTGEMPQCMFQQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)cyclobutane-1-carbonitrile
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)cyclobutane-1-carbonitrile
• Synonyms: 1-(pyrrolidin-1-yl)cyclobutanecarbonitrile

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.18056595
• LogD (pH = 7.4): 1.212264
• Log P: 1.2701795
• Molar Refractivity: 44.445 cm^3
• Polarizability: 17.21714 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%