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 |