Yhaqqfnsezllpm-uhfffaoysa-
PubChem CID: 10955426
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| Compound Synonyms | YHAQQFNSEZLLPM-UHFFFAOYSA-, InChI=1/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2C12CCCCC2 |
| Np Classifier Class | Simple oxindole alkaloids |
| Deep Smiles | CNCCCOC6C)))C=O)Ncc5cccc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1NC2CCCCC2C12CCNCO2 |
| Classyfire Subclass | Indolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H16N2O2 |
| Scaffold Graph Node Bond Level | O=C1Nc2ccccc2C12CCNCO2 |
| Inchi Key | YHAQQFNSEZLLPM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | donaxarine, donaxerine |
| Esol Class | Soluble |
| Functional Groups | COC(C)N(C)C, cNC(C)=O |
| Compound Name | Yhaqqfnsezllpm-uhfffaoysa- |
| Exact Mass | 232.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16) |
| Smiles | CC1N(CCC2(O1)C3=CC=CC=C3NC2=O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279