M2H
Summary
| Name: | 3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile |
| Formula: | C7 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 120.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2/c1-5-3-6(2)9-7(5)4-8/h3,9H,1-2H3 |
| InChIKey | InChI | 1.03 | CTILJTUXIQXEOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(C#N)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(C#N)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc([nH]c1C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc([nH]c1C#N)C |
