6-Methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID: 5319717
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| Compound Synonyms | 2-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline, 6-methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole, N-Methylpinoline, 6582-80-5, 5R59U3R5MP, SCHEMBL12083125, TQP1248, CHEBI:228992, 6-Methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline, 6-methoxy-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-2-methyl- |
|---|---|
| Topological Polar Surface Area | 28.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C13H16N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | WOIXRQJXGWXSBU-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -1.641 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.125 |
| Compound Name | 6-Methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7471107999999997 |
| Inchi | InChI=1S/C13H16N2O/c1-15-6-5-10-11-7-9(16-2)3-4-12(11)14-13(10)8-15/h3-4,7,14H,5-6,8H2,1-2H3 |
| Smiles | CN1CCC2=C(C1)NC3=C2C=C(C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients