1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]proline Formula: C12H15N3O3 MolecularWeight: 249.2658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C12H15N3O3/c1-14-8-9(7-13-14)4-5-11(16)15-6-2-3-10(15)12(17)18/h4-5,7-8,10H,2-3,6H2,1H3,(H,17,18)/b5-4+