N-Formylcytisine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1433686 | |
| PubChem: | 589870 | |
| IUPAC: | 6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde | |
| Standard InChI: | InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2 | |
| Standard InChI Key: | PCYQRXYBKKZUSR-UHFFFAOYSA-N | |
| SMILES: | O=CN1CC2CC(C1)c1n(C2)c(=O)ccc1 | |
Molecular propeties
| ||
| AlogP: | 0.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 218.11 | |
| Topological polar surface area: | 40.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 12 | |