(2H5)cyclopropane-1-carboxamide

• ChemBase ID: 165246
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: C1(CC1)C(=O)N
• Canonical SMILES: NC(=O)C1CC1
• InChI: InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
• InChIKey: AIMMVWOEOZMVMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)cyclopropane-1-carboxamide
• IUPAC Traditional name: (^2H₅)cyclopropane-1-carboxamide
• Synonyms: Cyclopropanecarboxamide-d5; Carbamoylcyclopropane-d5; NSC 402033-d5; Cyclopropylamide-d5

Database IDs

• CAS Number: 1185054-94-7
• PubChem SID: 162259379
• PubChem CID: 45038754

CALCULATED PROPERTIES

• Acid pKa: 16.460144
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25049222
• LogD (pH = 7.4): -0.2504921
• Log P: -0.2504921
• Molar Refractivity: 21.8651 cm^3
• Polarizability: 8.598534 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid