1-(4-Dimethylamino-But-2-Ynyl)-Pyrr; Olidin-2-One

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Properties Simple | Detailed

Formula C10H16N2O
IUPAC Name 1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one
Molecular Mass 180.247 g·mol−1
Heat of Formation 30.7 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 248.53 Å 3
Surface Area 227.92 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-dimethylaminobut-2-ynyl)-2-pyrrolidinone
  • 1-(4-dimethylaminobut-2-ynyl)-2-pyrrolidone
  • 1-(4-dimethylaminobut-2-ynyl)pyrrolid-2-one
  • 1-(4-dimethylaminobut-2-ynyl)pyrrolidin-2-one
  • 2-pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
  • br 100
  • br 100 (pharmaceutical)
CAS Number(s)
  • 3854-02-2
InChIKey VFCXPAQOWQSKLL-UHFFFAOYSA-N
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