79I
Summary
| Name: | 3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one |
| Formula: | C7 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 155.198 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | OHRRKDZXFJDVKI-PYLJCTLUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCNC1=O)C=N |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCNC1=O)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/[C@H](C[C@@H]1CCNC1=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)C1CC(C=N)N |
