A1CLE
Summary
| Name: | 1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| Formula: | C14 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 1'-methylspiro[3~{H}-chromene-2,4'-piperidine]-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CC2(CCN(C)CC2)Oc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3 |
| InChIKey | InChI | 1.06 | DCENWWFAIVPRAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC2(CC1)CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.385 | CN1CCC2(CC1)CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCC2(CC1)CC(=O)c3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCC2(CC1)CC(=O)c3ccccc3O2 |
