4,4-bis(hydroxymethyl)-5-methyl-1-(phenylmethyl)pyrazolidin-3-one

Systemtic Name: 4,4-bis(hydroxymethyl)-5-methyl-1-(phenylmethyl)pyrazolidin-3-one Openeye Name: 1-benzyl-4,4-bis(hydroxymethyl)-5-methyl-pyrazolidin-3-one CAS Name: 4,4-bis(hydroxymethyl)-5-methyl-1-(phenylmethyl)-3-pyrazolidinone IUPAC Name: 1-benzyl-4,4-bis(hydroxymethyl)-5-methylpyrazolidin-3-one Traditional Name: 1-benzyl-5-methyl-4,4-dimethylol-pyrazolidin-3-one Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NN1CC2=CC=CC=C2)(CO)CO

Isomeric SMILES

CC1C(C(=O)NN1CC2=CC=CC=C2)(CO)CO

InChI

InChI=1S/C13H18N2O3/c1-10-13(8-16,9-17)12(18)14-15(10)7-11-5-3-2-4-6-11/h2-6,10,16-17H,7-9H2,1H3,(H,14,18)