O3A
Summary
| Name: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-~{N}-methyl-~{N}-phenyl-pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C1CCNC1)=O)(c2ccccc2)C |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | VZIWWLIHHFDZEO-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@H]1CCNC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CN(C(=O)[CH]1CCNC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(c1ccccc1)C(=O)[C@H]2CCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(c1ccccc1)C(=O)C2CCNC2 |
