(E)-N-(oxolan-3-ylmethylidene)hydroxylamine

• ChemBase ID: 256192
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: N(=C\C1COCC1)/O
• Canonical SMILES: O/N=C/C1COCC1
• InChI: InChI=1S/C5H9NO2/c7-6-3-5-1-2-8-4-5/h3,5,7H,1-2,4H2/b6-3+
• InChIKey: UYVDJDYHRFRZNM-ZZXKWVIFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-(oxolan-3-ylmethylidene)hydroxylamine
• IUPAC Traditional name: (E)-N-(oxolan-3-ylmethylidene)hydroxylamine
• Synonyms: tetrahydrofuran-3-carbaldehyde oxime

Database IDs

• MDL Number: MFCD10686800
• PubChem SID: 164312102
• PubChem CID: 12918679

CALCULATED PROPERTIES

• Acid pKa: 9.930414
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24079072
• LogD (pH = 7.4): -0.24142551
• Log P: -0.24013759
• Molar Refractivity: 29.5357 cm^3
• Polarizability: 11.364257 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.304

Product Information

• Purity: 95%