Chem
J-GLOBAL ID:200907098020023856   Nikkaji number:J324.420B

(2R,3aβ)-(Hexahydro-6,6-dimethylpyrrolo[1,2-b]isoxazole)-2β,3β-dicarbonitrile

(2R,3aβ)-(ヘキサヒドロ-6,6-ジメチルピロロ[1,2-b]イソオキサゾール)-2β,3β-ジカルボニトリル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H13N3O
Molecular formula furigana: C10-H13-N3-O
Molecular weight: 191.234
InChI: InChI=1S/C10H13N3O/c1-10(2)4-3-8-7(5-11)9(6-12)14-13(8)10/h7-9H,3-4H2,1-2H3/t7-,8-,9-/m0/s1
InChI key: GBIIRRSBABJJOK-CIUDSAMLSA-N
SMILES: CC1(C)CC[C@H]2[C@H](C#N)[C@@H](ON12)C#N
Systematic name  (3):
  • (2R,3aβ)-(ヘキサヒドロ-6,6-ジメチルピロロ[1,2-b]イソオキサゾール)-2β,3β-ジカルボニトリル
  • (2R,3R,3aS)-6,6-ジメチル-ヘキサヒドロピロロ[1,2-b][1,2]オキサゾール-2,3-ジカルボニトリル
  • (2R,3R,3aS)-6,6-dimethyl-hexahydropyrrolo[1,2-b][1,2]oxazole-2,3-dicarbonitrile
Other name (1):
  • (2R,3aβ)-(Hexahydro-6,6-dimethylpyrrolo[1,2-b]isoxazole)-2β,3β-dicarbonitrile
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