RGU
Summary
| Name: | (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one |
| Formula: | C11 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 173.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | QPPMCKRHXDXQPA-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@@H]2Cc3ccccc3N12 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH]2Cc3ccccc3N12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C[C@@H]3N2C(=O)CC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC3N2C(=O)CC3 |
