(4R,5Z)-4-Ethyl-4-Hydroxy-5-(3-Oxo-2(3H)-Pyridinylidene)-L-Prolinamide

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Properties Simple | Detailed

Formula C12H15N3O3
IUPAC Name (2s,4r,5z)-4-ethyl-4-hydroxy-5-(3-oxo-2-pyridylidene)pyrrolidine-2-carboxamide
Molecular Mass 249.266 g·mol−1
Heat of Formation -393.1 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 287.09 Å 3
Surface Area 255.43 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r,5z)-4-ethyl-4-hydroxy-5-(3-keto-2-pyridylidene)pyrrolidine-2-carboxamide
  • (2s,4r,5z)-4-ethyl-4-hydroxy-5-(3-oxo-2-pyridylidene)-2-pyrrolidinecarboxamide
  • (2s,4r,5z)-4-ethyl-4-hydroxy-5-(3-oxo-2-pyridylidene)pyrrolidine-2-carboxamide
  • (2s,4r,5z)-4-ethyl-4-hydroxy-5-(3-oxopyridin-2-ylidene)pyrrolidine-2-carboxamide
  • 2h-pyrrole-2-carboxamide, 4-ethyl-3,4-dihydro-4-hydroxy-5-(3-hydroxy-2-pyridinyl)-, (2s-trans)-
  • 3,4-dihydro-4-ethyl-4-hydroxy-5-(3-hydroxy-2-pyridyl)-2h-pyrrole-2-carboxamide
  • siderochelin c
CAS Number(s)
  • 93973-61-6
InChIKey XCYVGZAJQJOEJH-IMCKWADJSA-N
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