1-Acetyl-N-[3-Methyl-1-(Methylamino)-1-Oxo-2-Buten-2-Yl]-L-Prolinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N3O3
IUPAC Name (2s)-1-acetyl-n-[2-methyl-1-(methylcarbamoyl)prop-1-enyl]pyrrolidine-2-carboxamide
Molecular Mass 267.324 g·mol−1
Heat of Formation -578.4 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 337.31 Å 3
Surface Area 300.38 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-acetyl-n-(3-methyl-1-methylamino-1-oxobut-2-en-2-yl)pyrrolidine-2-carboxamide
  • (2s)-1-acetyl-n-[2-methyl-1-(methylcarbamoyl)prop-1-enyl]-2-pyrrolidinecarboxamide
  • (2s)-1-acetyl-n-[2-methyl-1-(methylcarbamoyl)prop-1-enyl]pyrrolidine-2-carboxamide
  • (2s)-1-ethanoyl-n-(3-methyl-1-methylamino-1-oxo-but-2-en-2-yl)pyrrolidine-2-carboxamide
  • ac-pro-delta-val-nhch3
  • acetylprolyl-alpha,beta-dehydrovaline methylamide
  • apdv-methylamide
CAS Number(s)
  • 132168-80-0
InChIKey KBMKJMVWDGLMCB-JTQLQIEISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N