A1BVO
Summary
| Name: | (1r,4r)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide |
| Formula: | C12 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1r,4r)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(CN2C(=O)CCC2=O)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O3/c13-12(17)9-3-1-8(2-4-9)7-14-10(15)5-6-11(14)16/h8-9H,1-7H2,(H2,13,17)/t8-,9- |
| InChIKey | InChI | 1.06 | NILRGZBNWXQVHW-KYZUINATSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CC[C@@H](CC1)CN2C(=O)CCC2=O |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CC[CH](CC1)CN2C(=O)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CC(CCC1CN2C(=O)CCC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CCC1CN2C(=O)CCC2=O)C(=O)N |
