A1DO9
Summary
| Name: | (2,3-dihydro-1H-indol-1-yl)(2-methylfuran-3-yl)methanone |
| Formula: | C14 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2,3-dihydro-1H-indol-1-yl)(2-methylfuran-3-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | 2,3-dihydroindol-1-yl-(2-methylfuran-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1occc1C(=O)N1CCc2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C14H13NO2/c1-10-12(7-9-17-10)14(16)15-8-6-11-4-2-3-5-13(11)15/h2-5,7,9H,6,8H2,1H3 |
| InChIKey | InChI | 1.06 | PKPFQDAFJVTRES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1occc1C(=O)N2CCc3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1occc1C(=O)N2CCc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cco1)C(=O)N2CCc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cco1)C(=O)N2CCc3c2cccc3 |
