1-[(2S)-2-ethynylpyrrolidin-1-yl]-2,2-dimethyl-hexa-3,4-dien-1-one

Systemtic Name: 1-[(2S)-2-ethynylpyrrolidin-1-yl]-2,2-dimethyl-hexa-3,4-dien-1-one Openeye Name: 1-[(2S)-2-ethynylpyrrolidin-1-yl]-2,2-dimethyl-hexa-3,4-dien-1-one CAS Name: 1-[(2S)-2-ethynyl-1-pyrrolidinyl]-2,2-dimethyl-1-hexa-3,4-dienone IUPAC Name: 1-[(2S)-2-ethynylpyrrolidin-1-yl]-2,2-dimethylhexa-3,4-dien-1-one Traditional Name: 1-[(2S)-2-ethynylpyrrolidino]-2,2-dimethyl-hexa-3,4-dien-1-one Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC=C=CC(C)(C)C(=O)N1CCCC1C#C

Isomeric SMILES

CC=C=CC(C)(C)C(=O)N1CCC[C@H]1C#C

InChI

InChI=1S/C14H19NO/c1-5-7-10-14(3,4)13(16)15-11-8-9-12(15)6-2/h2,5,10,12H,8-9,11H2,1,3-4H3/t7?,12-/m1/s1