7-methyl-1-(prop-2-en-1-yl)-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione

• ChemBase ID: 53343
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: c1c(nc2c(c1)c(=O)oc(=O)n2CC=C)C
• Canonical SMILES: C=CCn1c(=O)oc(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C11H10N2O3/c1-3-6-13-9-8(5-4-7(2)12-9)10(14)16-11(13)15/h3-5H,1,6H2,2H3
• InChIKey: KBMPSNMXDPIITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1-(prop-2-en-1-yl)-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• IUPAC Traditional name: 7-methyl-1-(prop-2-en-1-yl)pyrido[2,3-d][1,3]oxazine-2,4-dione
• Synonyms: 1-Allyl-7-methyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione

Database IDs

• CAS Number: 97484-82-7
• MDL Number: MFCD17011914
• PubChem SID: 162058106
• PubChem CID: 13425117

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5795525
• LogD (pH = 7.4): 1.579579
• Log P: 1.5795794
• Molar Refractivity: 56.853 cm^3
• Polarizability: 21.417896 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%