(3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID: 736756
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 19943-27-2, Cyclo(prolylprolyl), L-Proline anhydride, Cyclo(prolylproline), Cyclo(L-Pro-L-Pro), Cyclo-(L-Pro-L-Pro), (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione, Cyclo(L-prolyl-L-prolyl), XGU973420W, cyclo(Pro,Pro), (5AS,10aS)-octahydro-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 5H,10H-Dipyrrolo(1,2-a:1',2'-d)pyrazine-5,10-dione, octahydro-, (5aS,10aS)-, 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, octahydro-, (5aS,10aS)-, cis-cyclo(Pro-Pro), Cyclo(prolylproline) [INCI], UNII-XGU973420W, CHEMBL4473867, SCHEMBL10283677, DTXSID201313224, AKOS005064349, (3S,9S)-1,7-diazatricyclo[7.3.0.0?,?]dodecane-2,8-dione, (5aS,10aS)-Octahydro-5H,10H-dipyrrolo[1,2-a:1a(2),2a(2)-d]pyrazine-5,10-dione, Rel-(5aS,10aS)-octahydro-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 36588-47-3 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C10H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKASXWPLSXFART-YUMQZZPRSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.049 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.766 |
| Compound Name | (3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1072508 |
| Inchi | InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8-/m0/s1 |
| Smiles | C1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients