P87
Summary
| Name: | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Formula: | C11 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| OpenEye OEToolkits | 2.0.4 | 3-[(3~{S})-oxolan-3-yl]-1-pyrrolidin-1-yl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)CCC2CCOC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h10H,1-9H2/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | QMNDAUGCAGNHLO-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC[C@H]1CCOC1)N2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C(CC[CH]1CCOC1)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1CCN(C1)C(=O)CC[C@H]2CCOC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1CCN(C1)C(=O)CCC2CCOC2 |
