12Q
Summary
| Name: | 1-METHYLQUINOLIN-2(1H)-ONE |
| Synonyms: | 1-METHYL-2-QUINOLONE |
| Formula: | C10 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 159.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 1-methylquinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C=Cc1c(cccc1)N2C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)C=Cc2ccccc12 |
| SMILES | CACTVS | 3.341 | CN1C(=O)C=Cc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C=CC1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C=CC1=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | QYEMNJMSULGQRD-UHFFFAOYSA-N |
