oxolane-3-carbohydrazide

• ChemBase ID: 284385
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C(=O)(C1COCC1)NN
• Canonical SMILES: NNC(=O)C1COCC1
• InChI: InChI=1S/C5H10N2O2/c6-7-5(8)4-1-2-9-3-4/h4H,1-3,6H2,(H,7,8)
• InChIKey: DQLGPMHNSVSHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-3-carbohydrazide
• IUPAC Traditional name: oxolane-3-carbohydrazide
• Synonyms: oxolane-3-carbohydrazide; TETRAHYDRO-FURAN-3-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 59293-32-2
• MDL Number: MFCD06738852
• PubChem SID: 180669916
• PubChem CID: 46942244

CALCULATED PROPERTIES

• Acid pKa: 12.724757
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1969118
• LogD (pH = 7.4): -1.1944529
• Log P: -1.1944194
• Molar Refractivity: 32.9457 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): -1.444

Product Information

• Purity: 95%; 98%