1,2,5-trimethylpyrazolidin-3-one hydrate

Systemtic Name: 1,2,5-trimethylpyrazolidin-3-one hydrate Openeye Name: 1,2,5-trimethylpyrazolidin-3-one hydrate CAS Name: 1,2,5-trimethyl-3-pyrazolidinone hydrate IUPAC Name: 1,2,5-trimethylpyrazolidin-3-one hydrate Traditional Name: 1,2,5-trimethylpyrazolidin-3-one hydrate Formula: C6H14N2O2 MolecularWeight: 146.18756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1C)C.O

Isomeric SMILES

CC1CC(=O)N(N1C)C.O

InChI

InChI=1S/C6H12N2O.H2O/c1-5-4-6(9)8(3)7(5)2;/h5H,4H2,1-3H3;1H2