oxolane-2-carbohydrazide

• ChemBase ID: 123187
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C(=O)(C1OCCC1)NN
• Canonical SMILES: NNC(=O)C1CCCO1
• InChI: InChI=1S/C5H10N2O2/c6-7-5(8)4-2-1-3-9-4/h4H,1-3,6H2,(H,7,8)
• InChIKey: LLGRORFWHFVNIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carbohydrazide
• IUPAC Traditional name: oxolane-2-carbohydrazide
• Synonyms: tetrahydrofuran-2-carbohydrazide; TETRAHYDRO-FURAN-2-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 59293-11-7
• MDL Number: MFCD02193362
• PubChem SID: 162217540
• PubChem CID: 468645

CALCULATED PROPERTIES

• Acid pKa: 12.380296
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8853472
• LogD (pH = 7.4): -0.8831641
• Log P: -0.8831318
• Molar Refractivity: 32.6897 cm^3
• Polarizability: 12.601286 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.061

Product Information

• Purity: 95%; 98%