5KL
Summary
| Name: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| OpenEye OEToolkits | 1.9.2 | (E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(\C=C\C(=O)c1c(cccc1)O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b8-7+ |
| InChIKey | InChI | 1.03 | SVBCOAAIOJDZNC-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)\C=C\C(=O)c1ccccc1O |
| SMILES | CACTVS | 3.385 | CN(C)C=CC(=O)c1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)/C=C/C(=O)c1ccccc1O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)C=CC(=O)c1ccccc1O |
