Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
PubChem CID: 98951
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| Compound Synonyms | Cyclo(Pro-Val), 5654-87-5, Cyclo-Val-Pro-diketopiperazine, Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, 3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 3-isopropyl-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cyclo(prolylvalyl), Cyclo(Val-Pro), SCHEMBL5270150, DTXSID20971985, CHEBI:181001, CHEBI:201644, XLUAWXQORJEMBD-UHFFFAOYSA-N, HY-N11615, NSC153414, AKOS016000004, FS-6945, NSC 153414, NSC-153414, SB45408, NCGC00381364-02, DA-72472, FC165808, CS-0652554, A831773, Pyrrolo[1,4-dione, hexahydro-3-(1-methylethyl)-, 1-Hydroxy-3-(propan-2-yl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XLUAWXQORJEMBD-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.217 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.021 |
| Compound Name | Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.67745 |
| Inchi | InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13) |
| Smiles | CC(C)C1C(=O)N2CCCC2C(=O)N1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients