1-Methylindolizine
PubChem CID: 582636
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Methylindolizine, Indolizine, 1-methyl-, 767-61-3, methylindolizin, methylindolizine, 1-Methylindolizine #, SCHEMBL4397520 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 4.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | Ccccnc5cccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyrrolopyridines |
| Scaffold Graph Node Level | C1CCN2CCCC2C1 |
| Classyfire Subclass | Indolizines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylindolizine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H9N |
| Scaffold Graph Node Bond Level | c1ccn2cccc2c1 |
| Inchi Key | XETHUYLPOULFPF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methyl-indolizine |
| Esol Class | Soluble |
| Functional Groups | cn(c)c |
| Compound Name | 1-Methylindolizine |
| Exact Mass | 131.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.073 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 131.17 |
| Gi Absorption | True |
| 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/C9H9N/c1-8-5-7-10-6-3-2-4-9(8)10/h2-7H,1H3 |
| Smiles | CC1=C2C=CC=CN2C=C1 |
| 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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965