2-Methyltryptoline
PubChem CID: 121896
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| Compound Synonyms | 2-methyltryptoline, 13100-00-0, 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole, 2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 2-Methyl-1,2,3,4-tetrahydro-beta-carboline, 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-, 2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE, CHEMBL69618, 1,2,3,4-Tetrahydro-2-methyl-b-carboline, 2-Methyltetrahydro-beta-carboline, DTXSID40156838, NSC683435, 2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole, 2-Methyl-2,3,4,9-tetrahydro-1H-b-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline, Oprea1_539196, MLS001049128, 2-Methyltetrahydro-b-carboline, SCHEMBL1055807, DTXCID7079329, n-methyltetrahydro-beta-carboline, TQP1342, CHEBI:185749, HMS2268E23, BDBM50018545, AKOS006320934, HS-4256, NSC-683435, NCGC00246229-01, NCI60_029908, PD166857, SMR000386955, 2-Methyl-1,2,3,4-tetrahydro-.beta.-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline #, 2,3,4,9-Tetrahydro-2-methyl-1H-Pyrido[3,4-b]indole, F1905-8574, 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9CI, InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H |
|---|---|
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P56560, P27338, P23977, B2RXH2, P04062, P83916, O75496 |
| Iupac Name | 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Target Id | NPT48 |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyridoindoles |
| Molecular Formula | C12H14N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOFKCNJIUXPJAC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.426 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.128 |
| Synonyms | 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9ci, 2-Methyl-1,2,3,4-tetrahydro-beta-carboline, 2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole, 2-Methyltryptoline, 2-Methyltetrahydro-beta-carboline |
| Compound Name | 2-Methyltryptoline |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.116 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.699013885714286 |
| Inchi | InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3 |
| Smiles | CN1CCC2=C(C1)NC3=CC=CC=C23 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Beta carbolines |
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