A1ANF
Summary
| Name: | 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one |
| Formula: | C12 H14 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 223.699 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CN1CCCC1)c1ccccc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2 |
| InChIKey | InChI | 1.06 | BDGKBEOKGJRBPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1C(=O)CN2CCCC2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1C(=O)CN2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)CN2CCCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)CN2CCCC2)Cl |
