RM2
Summary
| Name: | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN |
| Formula: | C12 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 187.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-1-[(1E)-prop-2-en-1-ylideneamino]-2,3-dihydro-1H-inden-4-ol |
| OpenEye OEToolkits | 1.5.0 | (1R)-1-(prop-2-enylideneamino)-2,3-dihydro-1H-inden-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1cccc2c1CCC2/N=C/C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cccc2[C@@H](CCc12)N=CC=C |
| SMILES | CACTVS | 3.341 | Oc1cccc2[CH](CCc12)N=CC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C\C=N\[C@@H]1CCc2c1cccc2O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CC=NC1CCc2c1cccc2O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/b13-8+/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | OFWOPQIDDNCCLL-KAQJVSAMSA-N |
