OMI
Summary
| Name: | 1-methyl-1,2-dihydro-3H-indol-3-one |
| Formula: | C9 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 147.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-1,2-dihydro-3H-indol-3-one |
| OpenEye OEToolkits | 2.0.4 | 1-methyl-2~{H}-indol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(c2c(C1=O)cccc2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3 |
| InChIKey | InChI | 1.03 | DYPFVQQCYZKNMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CN1CC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CC(=O)c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CC(=O)c2c1cccc2 |
