oxolane-2-carboxamide

• ChemBase ID: 275770
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C(=O)(C1OCCC1)N
• Canonical SMILES: NC(=O)C1CCCO1
• InChI: InChI=1S/C5H9NO2/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H2,6,7)
• InChIKey: GXHAENUAJYZNOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carboxamide
• IUPAC Traditional name: oxolane-2-carboxamide
• Synonyms: oxolane-2-carboxamide

Database IDs

• MDL Number: MFCD03929553
• PubChem SID: 164331680
• PubChem CID: 3544692

CALCULATED PROPERTIES

• Acid pKa: 15.747025
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5866561
• LogD (pH = 7.4): -0.5866561
• Log P: -0.5866561
• Molar Refractivity: 28.2056 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): -0.714

Product Information

• Purity: 95%