5-tert-butyl-2-(2-methylprop-2-enyl)-1H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(2-methylprop-2-enyl)-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(2-methylallyl)-1H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(2-methylprop-2-enyl)-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(2-methylprop-2-enyl)-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(2-methylallyl)-3-pyrazolin-3-one Formula: C11H18N2O MolecularWeight: 194.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C=C(N1)C(C)(C)C

Isomeric SMILES

CC(=C)CN1C(=O)C=C(N1)C(C)(C)C

InChI

InChI=1S/C11H18N2O/c1-8(2)7-13-10(14)6-9(12-13)11(3,4)5/h6,12H,1,7H2,2-5H3