1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID: 326786
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| Compound Synonyms | 6678-85-9, 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole, NSC298847, SCHEMBL12592476, DTXSID70316044, NSC-298847 |
|---|---|
| Topological Polar Surface Area | 27.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C13H16N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZVZLIGRQSJGAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 200.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.836167 |
| Inchi | InChI=1S/C13H16N2/c1-13(2)12-10(7-8-14-13)9-5-3-4-6-11(9)15-12/h3-6,14-15H,7-8H2,1-2H3 |
| Smiles | CC1(C2=C(CCN1)C3=CC=CC=C3N2)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients