0QA
Summary
| Name: | 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one |
| OpenEye OEToolkits | 1.7.6 | N-methyl-N-(4-oxidanylidene-4-pyridin-3-yl-butyl)nitrous amide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cccnc1)CCCN(N=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 |
| InChIKey | InChI | 1.03 | FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(CCCC(=O)c1cccnc1)N=O |
| SMILES | CACTVS | 3.370 | CN(CCCC(=O)c1cccnc1)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(CCCC(=O)c1cccnc1)N=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(CCCC(=O)c1cccnc1)N=O |
