5Z9
Summary
| Name: | (2R)-2-methyl-2-oxidanyl-butanenitrile |
| Formula: | C5 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 99.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-methyl-2-oxidanyl-butanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | VMEHOTODTPXCKT-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@](C)(O)C#N |
| SMILES | CACTVS | 3.385 | CC[C](C)(O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@](C)(C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)(C#N)O |
