1-(methoxymethyl)cyclopentane-1-carboxamide

• ChemBase ID: 38173
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1CCCC1(C(=O)N)COC
• Canonical SMILES: COCC1(CCCC1)C(=O)N
• InChI: InChI=1S/C8H15NO2/c1-11-6-8(7(9)10)4-2-3-5-8/h2-6H2,1H3,(H2,9,10)
• InChIKey: GHDASWRKRISTRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)cyclopentane-1-carboxamide
• Synonyms: 1-(Methoxymethyl)cyclopentanecarboxamide

Database IDs

• MDL Number: MFCD12028469
• PubChem SID: 161001480
• PubChem CID: 25220861

CALCULATED PROPERTIES

• Acid pKa: 16.445581
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.55701476
• LogD (pH = 7.4): 0.5570149
• Log P: 0.5570149
• Molar Refractivity: 42.094 cm^3
• Polarizability: 16.65312 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false