4-(hydrazinylmethylidene)-2-methyloxolan-3-one

• ChemBase ID: 81356
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: O1C/C(=C\NN)/C(=O)C1C
• Canonical SMILES: CC1OC/C(=C\NN)/C1=O
• InChI: InChI=1S/C6H10N2O2/c1-4-6(9)5(2-8-7)3-10-4/h2,4,8H,3,7H2,1H3
• InChIKey: FLFUMHVUGDJIHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinylmethylidene)-2-methyloxolan-3-one
• IUPAC Traditional name: 4-(hydrazinylmethylidene)-2-methyloxolan-3-one
• Synonyms: 4-(hydrazinomethylidene)-2-methyltetrahydrofuran-3-one

Database IDs

• MDL Number: MFCD00105441
• PubChem SID: 162068475
• PubChem CID: 2777227

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5615532
• LogD (pH = 7.4): -0.5222024
• Log P: -0.5216769
• Molar Refractivity: 48.2724 cm^3
• Polarizability: 14.176513 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true