OJD
Summary
| Name: | (4R)-4-(2-phenylethyl)pyrrolidin-2-one |
| Formula: | C12 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 189.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-(2-phenylethyl)pyrrolidin-2-one |
| OpenEye OEToolkits | 1.7.6 | (4R)-4-(2-phenylethyl)pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NCC(CCc1ccccc1)C2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | HSOKCKRDVRKPGT-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[C@@H](CCc2ccccc2)CN1 |
| SMILES | CACTVS | 3.385 | O=C1C[CH](CCc2ccccc2)CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC[C@@H]2CC(=O)NC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC2CC(=O)NC2 |
