7-(2-Hydroxypropan-2-yl)-2,2,5,5-tetramethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
PubChem CID: 145959507
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| Compound Synonyms | CHEMBL4163151 |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(2-hydroxypropan-2-yl)-2,2,5,5-tetramethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C14H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HSAIADLDIJXYIG-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.67 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.44 |
| Compound Name | 7-(2-Hydroxypropan-2-yl)-2,2,5,5-tetramethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 250.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1514204 |
| Inchi | InChI=1S/C14H22N2O2/c1-12(2)7-8-10(16-12)9(14(5,6)18)11(17)13(3,4)15-8/h16,18H,7H2,1-6H3 |
| Smiles | CC1(CC2=NC(C(=O)C(=C2N1)C(C)(C)O)(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Source_db:cmaup_ingredients