Chem
J-GLOBAL ID：200907016922045171
Nikkaji number：J405.084C
(1S)-2β-Methyl-3-[(E)-ethylidene]cyclobutane-1α-carbonitrile
(1S,2R,3E)-3-エチリデン-2-メチルシクロブタン-1-カルボニトリル
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
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
Molecular formula： C8H11N
Molecular formula furigana： C8-H11-N
Molecular weight： 121.183
InChI：
InChI=1S/C8H11N/c1-3-7-4-8(5-9)6(7)2/h3,6,8H,4H2,1-2H3/b7-3+/t6-,8+/m0/s1
InChI key：
KLYAKPKDFKJSPC-PSWGFCAFSA-N
SMILES：
C/C=C/1\C[C@H](C#N)[C@H]1C
Systematic name (3)：
- (1S)-2β-メチル-3-[(E)-エチリデン]シクロブタン-1α-カルボニトリル
- (1S,2R,3E)-3-エチリデン-2-メチルシクロブタン-1-カルボニトリル
- (1S,2R,3E)-3-ethylidene-2-methylcyclobutane-1-carbonitrile
- (1S)-2β-Methyl-3-[(E)-ethylidene]cyclobutane-1α-carbonitrile
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