AOJ
Summary
| Name: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione |
| Formula: | C12 H9 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-(5-fluoranyl-1~{H}-indol-3-yl)pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C(=O)CC(C1=O)c3cnc2c3cc(cc2)F |
| InChI | InChI | 1.03 | InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | MXKLDYKORJEOPR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |
| SMILES | CACTVS | 3.385 | Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O |
