IS7
Summary
Name: | 1,5-dimethyl-3~{H}-indol-2-one |
Formula: | C10 H11 N O |
Formal charge: | 0 |
Formula weight: | 161.2 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1,5-dimethyl-3~{H}-indol-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3 |
InChIKey | InChI | 1.03 | OSKUFVWHNUVFJR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)Cc2cc(C)ccc12 |
SMILES | CACTVS | 3.385 | CN1C(=O)Cc2cc(C)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CC(=O)N2C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CC(=O)N2C |