RH1
Summary
| Name: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione |
| OpenEye OEToolkits | 1.5.0 | 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methyl-cyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=C(C(=O)C(=C1N2CC2)C)N3CC3)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO |
| SMILES | CACTVS | 3.341 | CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | JKDLOGLNPDVUCX-UHFFFAOYSA-N |
