(2S)-2-Hydroxy-2-Methyl-N-{(2R)-1-[(2E)-3-Phenyl-2-Propenoyl]-2-Pyrrolidinyl}Butanamide

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Formula C18H24N2O3
IUPAC Name (2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
Molecular Mass 316.395 g·mol−1
Heat of Formation -488.1 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 398.21 Å 3
Surface Area 350.44 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(e)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinyl]butanamide
  • (2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(e)-3-phenylacryloyl]pyrrolidin-2-yl]butyramide
  • (2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
  • butanamide, 2-hydroxy-2-methyl-n-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (s-(r*,s*-(e)))-
  • odorinol
CAS Number(s)
  • 72755-22-7
InChIKey ZSSIVXBCHJDPDR-IHUUNXMQSA-N
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