(R)-4-((1-Methyl-3-Oxo-1-Butenyl)Amino)-3-Isoxazolidinone

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Properties Simple | Detailed

Formula C8H12N2O3
IUPAC Name (4r)-4-[[(e)-1-methyl-3-oxo-but-1-enyl]amino]isoxazolidin-3-one
Molecular Mass 184.192 g·mol−1
Heat of Formation -337.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 218.63 Å 3
Surface Area 216.18 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[[(e)-1-methyl-3-oxo-but-1-enyl]amino]isoxazolidin-3-one
  • (4r)-4-[[(e)-1-methyl-3-oxobut-1-enyl]amino]-3-isoxazolidinone
  • (4r)-4-[[(e)-3-keto-1-methyl-but-1-enyl]amino]isoxazolidin-3-one
  • (4r)-4-[[(e)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
  • 3-isoxazolidinone, 4-((1-methyl-3-oxo-1-butenyl)amino)-, (r)-
  • pentizidone
CAS Number(s)
  • 55694-83-2
InChIKey DGYLXKOLHICICX-OHCKJTPYSA-N
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