3-Dimethylallylindole
PubChem CID: 10867041
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| Compound Synonyms | 3-dimethylallylindole, 3-prenylindole, CHEMBL508951, SCHEMBL6267916 |
|---|---|
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3-methylbut-2-enyl)-1H-indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C13H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASADUZQNSFEIFO-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -4.105 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.76 |
| Compound Name | 3-Dimethylallylindole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 185.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 185.12 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 185.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.801988285714285 |
| Inchi | InChI=1S/C13H15N/c1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13/h3-7,9,14H,8H2,1-2H3 |
| Smiles | CC(=CCC1=CNC2=CC=CC=C21)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Monodora Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all