F56
Summary
| Name: | 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one |
| Formula: | C15 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 263.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | XOAZFUVQLCZQIQ-NNOMMRTBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\C[C@H](C)C[C@H](C)C(=O)C1=C(O)C=CNC1=O |
| SMILES | CACTVS | 3.385 | CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CCC(C)CC(C)C(=O)C1=C(C=CNC1=O)O |
