3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-en-6-one
3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8013-4958 |
| Compound Name: | 3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 241.2 |
| Molecular Formula: | C9 H11 N3 O5 |
| Smiles: | CN1CC2(CC(C1)(C(C=C2)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2875 |
| logD: | 0.2871 |
| logSw: | -0.6131 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.488 |
| InChI Key: | WMJFADAIHCMZEO-UHFFFAOYSA-N |