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CHEBI:145655 - (S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one

ChEBI IDCHEBI:145655
ChEBI Name(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one
Stars
ASCII Name(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one
DefinitionA member of the class of indoles that is 1H-indole substituted by a 3-methylbut-1-en-3-yl group at position 2 and a [(8aS)-1-oxo-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group at position 3.
Last Modified10 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N3O
Net Charge0
Average Mass335.451
Monoisotopic Mass335.19976
SMILESC=CC(C)(C)c1nc2ccccc2c1CC1=CN2CCC[C@H]2C(=O)N1
InChIInChI=1S/C21H25N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-6,8-9,13,18,23H,1,7,10-12H2,2-3H3,(H,22,25)/t18-/m0/s1
InChIKeyILMMVPUJKFMUIW-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one (CHEBI:145655) is a indoles (CHEBI:24828)
(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one (CHEBI:145655) is a pyrrolopyrazine (CHEBI:48337)
IUPAC Name 
(8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1(2H)-one
Synonyms  Source
(8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-oneChEBI
(8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-oneChEBI
(S)-3-{[2-(2-methylbut-3-en-2-yl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-oneChEBI
UniProt Name  Source
(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-oneUniProt
Citations