(2S,3S)-N-[2-(4-Hydroxyphenyl)Ethyl]-1-Methyl-5-Oxo-2-(3-Pyridinyl)-3-Pyrrolidinecarboxamide

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Properties Simple | Detailed

Formula C19H21N3O3
IUPAC Name (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carboxamide
Molecular Mass 339.388 g·mol−1
Heat of Formation -371.0 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 404.66 Å 3
Surface Area 313.74 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridyl)-3-pyrrolidinecarboxamide
  • (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carboxamide
  • (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-yl-pyrrolidine-3-carboxamide
  • (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
  • (2s,3s)-n-[2-(4-hydroxyphenyl)ethyl]-5-keto-1-methyl-2-(3-pyridyl)pyrrolidine-3-carboxamide
  • 3-pyrrolidinecarboxamide, n-(2-(4-hydroxyphenyl)ethyl)-1-methyl-5-oxo-2-(3-pyridinyl)-, (2s-trans)-
  • 4-ncc
CAS Number(s)
  • 100333-39-9
InChIKey AYWZJRYYVZHOQI-FUHWJXTLSA-N
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