A1B0O
Summary
| Name: | (3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one |
| Formula: | C12 H14 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 223.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-(2-fluoranyl-3-methyl-phenoxy)-1-methyl-pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN1CCC(Oc2cccc(C)c2F)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C12H14FNO2/c1-8-4-3-5-9(11(8)13)16-10-6-7-14(2)12(10)15/h3-5,10H,6-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | ZGHOVIJLBUUPON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](Oc2cccc(C)c2F)C1=O |
| SMILES | CACTVS | 3.385 | CN1CC[CH](Oc2cccc(C)c2F)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1F)O[C@@H]2CCN(C2=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1F)OC2CCN(C2=O)C |
