PYQ
Summary
| Name: | PYROQUILON |
| Synonyms: | 1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE |
| Formula: | C11 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 173.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3N2c1c(cccc1CC2)CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1CCc2cccc3CCN1c23 |
| SMILES | CACTVS | 3.341 | O=C1CCc2cccc3CCN1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c3c(c1)CCN3C(=O)CC2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c3c(c1)CCN3C(=O)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 |
| InChIKey | InChI | 1.03 | XRJLAOUDSILTFT-UHFFFAOYSA-N |
