F2D
Summary
| Name: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one |
| Formula: | C19 H25 N O |
| Formal charge: | 0 |
| Formula weight: | 283.408 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-2-[(~{E})-non-2-enyl]-1~{H}-quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2ccccc2NC(C\C=C\CCCCCC)=C1C |
| InChI | InChI | 1.03 | InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+ |
| InChIKey | InChI | 1.03 | XICKFFMQHHMRFO-CMDGGOBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC/C=C/CC1=C(C)C(=O)c2ccccc2N1 |
| SMILES | CACTVS | 3.385 | CCCCCCC=CCC1=C(C)C(=O)c2ccccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC=CCC1=C(C(=O)c2ccccc2N1)C |
