1-(4-nitrophenyl)cyclopropane-1-carboxamide

• ChemBase ID: 292990
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: NC(=O)C1(CC1)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: NC(=O)C1(CC1)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H10N2O3/c11-9(13)10(5-6-10)7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H2,11,13)
• InChIKey: IOLTVUWUQVKERR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-nitrophenyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-nitrophenyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-Nitrophenyl)cyclopropanecarboxamide

Database IDs

• CAS Number: 858423-29-7
• PubChem SID: 180678521
• PubChem CID: 70700932

CALCULATED PROPERTIES

• Polar Surface Area: 86.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.164525
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3793104
• LogD (pH = 7.4): 1.3793104
• Log P: 1.3793104
• Molar Refractivity: 52.7816 cm^3
• Polarizability: 20.081827 Å^3

PROPERTIES

Product Information

• Purity: 95+%