WKJ
Summary
| Name: | (3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol |
| Formula: | C11 H14 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 211.688 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(ccc(CN1CCC(C1)O)cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | NVBPYTSZAGPUJC-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN(C1)Cc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)Cc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CC[C@H](C2)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCC(C2)O)Cl |
