2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-9H-pyrano[3,2-g]quinolin-8-one
PubChem CID: 134830748
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-9H-pyrano[3,2-g]quinolin-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAZRWJYBHVVNMC-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.253 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.428 |
| Compound Name | 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-9H-pyrano[3,2-g]quinolin-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 295.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.050932036363636 |
| Inchi | InChI=1S/C19H21NO2/c1-6-18(2,3)14-10-13-9-12-7-8-19(4,5)22-16(12)11-15(13)20-17(14)21/h6-11H,1H2,2-5H3,(H,20,21) |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C(C)(C)C=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aeollanthus Buchnerianus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echium Plantagineum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helianthus Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hernandia Sonora (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Leptospermum Recurvum (Plant) Rel Props:Source_db:cmaup_ingredients