2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carboxamide

• ChemBase ID: 280222
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: C1(=C(NC2(C1=O)CCCCC2)N)C(=O)N
• Canonical SMILES: NC1=C(C(=O)N)C(=O)C2(N1)CCCCC2
• InChI: InChI=1S/C10H15N3O2/c11-8-6(9(12)15)7(14)10(13-8)4-2-1-3-5-10/h13H,1-5,11H2,(H2,12,15)
• InChIKey: BWONCUVDQFBLDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carboxamide
• IUPAC Traditional name: 2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carboxamide
• Synonyms: 2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carboxamide

Database IDs

• MDL Number: MFCD09702234
• PubChem SID: 180665753
• PubChem CID: 16228873

CALCULATED PROPERTIES

• Acid pKa: 15.831581
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.21737897
• LogD (pH = 7.4): 0.21750604
• Log P: 0.21750766
• Molar Refractivity: 64.5797 cm^3
• Polarizability: 21.05076 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.472

Product Information

• Purity: 95%