N-methoxy-N-methylcyclopent-3-ene-1-carboxamide

• ChemBase ID: 808994
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C1(CC=CC1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)C1CC=CC1)C
• InChI: InChI=1S/C8H13NO2/c1-9(11-2)8(10)7-5-3-4-6-7/h3-4,7H,5-6H2,1-2H3
• InChIKey: GYUWPOYEOYDQOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
• IUPAC Traditional name: N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
• Synonyms: N-METHOXY-N-METHYLCYCLOPENT-3-ENE-1-CARBOXAMIDE

Database IDs

• CAS Number: 248275-70-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.87517864
• LogD (pH = 7.4): 0.87517864
• Log P: 0.87517864
• Molar Refractivity: 43.3273 cm^3
• Polarizability: 16.40704 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%