A1AZK
Summary
| Name: | N-(4-oxobutyl)guanidine |
| Formula: | C5 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 129.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-oxobutyl)guanidine |
| OpenEye OEToolkits | 2.0.7 | 1-(4-oxidanylidenebutyl)guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=C(N)NCCCC=O |
| InChI | InChI | 1.06 | InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8) |
| InChIKey | InChI | 1.06 | VCOFTLCIPLEZKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCCC=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC=O)CNC(=N)N |
