SVD
Summary
| Name: | (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one |
| Formula: | C8 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | WSOJYUWEGFKKBH-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N(O)[C@H](CC1=O)C(C)(C)C |
| SMILES | CACTVS | 3.385 | CN1N(O)[CH](CC1=O)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)[C@H]1CC(=O)N(N1O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C1CC(=O)N(N1O)C |
