A1CW9
Summary
| Name: | N-{[(2R)-oxolan-2-yl]methyl}-1H-pyrrole-2-carboxamide |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[(2R)-oxolan-2-yl]methyl}-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[(2~{R})-oxolan-2-yl]methyl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC1CCCO1)c1ccc[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O2/c13-10(9-4-1-5-11-9)12-7-8-3-2-6-14-8/h1,4-5,8,11H,2-3,6-7H2,(H,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | LKMLGZWPERYNLQ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@H]1CCCO1)c2[nH]ccc2 |
| SMILES | CACTVS | 3.385 | O=C(NC[CH]1CCCO1)c2[nH]ccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc([nH]c1)C(=O)NC[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc([nH]c1)C(=O)NCC2CCCO2 |
