6OQ
Summary
| Name: | 2-ethyl-1,2-dihydro-1,2-azaborinine |
| Formula: | C6 H10 B N |
| Formal charge: | 0 |
| Formula weight: | 106.961 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-ethyl-1,2-dihydro-1,2-azaborinine |
| OpenEye OEToolkits | 2.0.4 | 2-ethyl-1~{H}-1,2-azaborinine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCB1NC=CC=C1 |
| InChI | InChI | 1.03 | InChI=1S/C6H10BN/c1-2-7-5-3-4-6-8-7/h3-6,8H,2H2,1H3 |
| InChIKey | InChI | 1.03 | LWNVLMFFYVOFEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCB1NC=CC=C1 |
| SMILES | CACTVS | 3.385 | CCB1NC=CC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | B1(C=CC=CN1)CC |
| SMILES | OpenEye OEToolkits | 2.0.4 | B1(C=CC=CN1)CC |
