R9G
Summary
| Name: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone |
| Formula: | C12 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 205.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | (3-methoxyphenyl)-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(C(N1CCCC1)=O)cc(cc2)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
| InChIKey | InChI | 1.03 | WMEQIJXKEGOFTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C(=O)N2CCCC2 |
