10-imino-2-[(1E)-prop-1-en-1-yl]tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
10-imino-2-[(1E)-prop-1-en-1-yl]tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
10-imino-2-[(1E)-prop-1-en-1-yl]tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8014-9979 |
| Compound Name: | 10-imino-2-[(1E)-prop-1-en-1-yl]tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 296.33 |
| Molecular Formula: | C16 H16 N4 O2 |
| Smiles: | C/C=C/C1C(C#N)(C#N)C2(C#N)C3CCCCC3(O1)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.342 |
| logD: | 2.342 |
| logSw: | -2.241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.528 |
| InChI Key: | UONFUGQBFVVMOT-UHFFFAOYSA-N |