6C9
Summary
| Name: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide |
| Formula: | C10 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 198.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)NCC2CCOC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | MDOWUCLFMQLBNB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@@H]1CCOC1)N2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C(NC[CH]1CCOC1)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1CCN(C1)C(=O)NC[C@@H]2CCOC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1CCN(C1)C(=O)NCC2CCOC2 |
