2,3-Dihydro-1,2,2-trimethyl-1H-indole
PubChem CID: 22266808
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| Compound Synonyms | 18023-32-0, 2,3-Dihydro-1,2,2-trimethyl-1H-indole, trimethylindoline, SCHEMBL1655895, DTXSID401287413 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | CNcccccc6CC9C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,2-trimethyl-3H-indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H15N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCN2 |
| Inchi Key | MCIDGHHVKNZHRD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | trimethylindoline |
| Esol Class | Soluble |
| Functional Groups | cN(C)C |
| Compound Name | 2,3-Dihydro-1,2,2-trimethyl-1H-indole |
| Exact Mass | 161.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 161.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H15N/c1-11(2)8-9-6-4-5-7-10(9)12(11)3/h4-7H,8H2,1-3H3 |
| Smiles | CC1(CC2=CC=CC=C2N1C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005