2,2-Dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-b]quinolin-5-one
PubChem CID: 23263934
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-b]quinolin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C19H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYPYPPOBCGAQGB-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -4.147 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.542 |
| Compound Name | 2,2-Dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-b]quinolin-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 297.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 297.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.498131236363636 |
| Inchi | InChI=1S/C19H23NO2/c1-13(2)10-12-20-16-8-6-5-7-14(16)17(21)15-9-11-19(3,4)22-18(15)20/h5-8,10H,9,11-12H2,1-4H3 |
| Smiles | CC(=CCN1C2=CC=CC=C2C(=O)C3=C1OC(CC3)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trollius Macropetalus (Plant) Rel Props:Source_db:cmaup_ingredients