2-methylidene-1-azabicyclo[2.2.2]octan-3-one dihydrate

Systemtic Name: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one dihydrate Openeye Name: 2-methylenequinuclidin-3-one dihydrate CAS Name: 2-methylene-1-azabicyclo[2.2.2]octan-3-one dihydrate IUPAC Name: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one dihydrate Traditional Name: 2-methylenequinuclidin-3-one dihydrate Formula: C8H15NO3 MolecularWeight: 173.2096

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=O)C2CCN1CC2.O.O

Isomeric SMILES

C=C1C(=O)C2CCN1CC2.O.O

InChI

InChI=1S/C8H11NO.2H2O/c1-6-8(10)7-2-4-9(6)5-3-7;;/h7H,1-5H2;2*1H2