3'-amino-5'-methyl-4',7'-dihydrospiro[[1,3]dioxolane-2,1'-isoindole]-3'a,7'a-dicarbonitrile
Chemical Structure Depiction of
3'-amino-5'-methyl-4',7'-dihydrospiro[[1,3]dioxolane-2,1'-isoindole]-3'a,7'a-dicarbonitrile
3'-amino-5'-methyl-4',7'-dihydrospiro[[1,3]dioxolane-2,1'-isoindole]-3'a,7'a-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-6017 |
| Compound Name: | 3'-amino-5'-methyl-4',7'-dihydrospiro[[1,3]dioxolane-2,1'-isoindole]-3'a,7'a-dicarbonitrile |
| Molecular Weight: | 258.28 |
| Molecular Formula: | C13 H14 N4 O2 |
| Smiles: | CC1CC2(C#N)C(N)=NC3(C2(CC=1)C#N)OCCO3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0854 |
| logD: | 0.1394 |
| logSw: | -1.1556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.869 |
| InChI Key: | VOVRHYJXRBXJDF-UHFFFAOYSA-N |