3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
PubChem CID: 10987427
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 61.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2C1 |
| Np Classifier Class | Simple oxindole alkaloids |
| Deep Smiles | CNCCCO)C=O)Ncc5cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1CC2CCCCC2N1 |
| Classyfire Subclass | Indolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14N2O2 |
| Scaffold Graph Node Bond Level | O=C1Cc2ccccc2N1 |
| Inchi Key | ZCPFUYXRGAKFRP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | donaxaridine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO, cNC(C)=O |
| Compound Name | 3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one |
| Exact Mass | 206.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.106 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14) |
| Smiles | CNCCC1(C2=CC=CC=C2NC1=O)O |
| 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