5-methyl-5-prop-1-ynyl-2H-isoindol-4-one

Systemtic Name: 5-methyl-5-prop-1-ynyl-2H-isoindol-4-one Openeye Name: 5-methyl-5-prop-1-ynyl-2H-isoindol-4-one CAS Name: 5-methyl-5-prop-1-ynyl-2H-isoindol-4-one IUPAC Name: 5-methyl-5-prop-1-ynyl-2H-isoindol-4-one Traditional Name: 5-methyl-5-prop-1-ynyl-2H-isoindol-4-one Formula: C12H11NO MolecularWeight: 185.22184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(C=CC2=CNC=C2C1=O)C

Isomeric SMILES

CC#CC1(C=CC2=CNC=C2C1=O)C

InChI

InChI=1S/C12H11NO/c1-3-5-12(2)6-4-9-7-13-8-10(9)11(12)14/h4,6-8,13H,1-2H3