(3R,8aS)-8a-methyl-3-propan-2-yl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID: 163018282
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| Topological Polar Surface Area | 49.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,8aS)-8a-methyl-3-propan-2-yl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C11H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XAMCMRHCZWDKAS-KCJUWKMLSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | 0.255 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.55 |
| Compound Name | (3R,8aS)-8a-methyl-3-propan-2-yl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 210.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8841173999999998 |
| Inchi | InChI=1S/C11H18N2O2/c1-7(2)8-9(14)13-6-4-5-11(13,3)10(15)12-8/h7-8H,4-6H2,1-3H3,(H,12,15)/t8-,11+/m1/s1 |
| Smiles | CC(C)[C@@H]1C(=O)N2CCC[C@]2(C(=O)N1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients