2-amino-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclopentane]-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclopentane]-3-carbonitrile
2-amino-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclopentane]-3-carbonitrile
Compound characteristics
| Compound ID: | 8645-0130 |
| Compound Name: | 2-amino-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclopentane]-3-carbonitrile |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C14 H16 N2 O2 |
| Smiles: | C1CC2=C(C(C1)=O)C1(CCCC1)C(C#N)=C(N)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.1843 |
| logD: | 1.1843 |
| logSw: | -1.2493 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.16 |
| InChI Key: | DEFAKIWOJUKDFS-UHFFFAOYSA-N |