3-Ethoxymethyl-5,6,7,8-tetrahydroindolizin-8-one
PubChem CID: 3013842
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| Compound Synonyms | 3-ethoxymethyl-5,6,7,8-tetrahydroindolizin-8-one, BOZPTHCSOXMEHQ-UHFFFAOYSA-, 8(5H)-indolizinone, 3-(ethoxymethyl)-6,7-dihydro-, InChI=1/C11H15NO2/c1-2-14-8-9-5-6-10-11(13)4-3-7-12(9)10/h5-6H,2-4,7-8H2,1H3 |
|---|---|
| Topological Polar Surface Area | 31.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C11H15NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BOZPTHCSOXMEHQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.828 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.506 |
| Compound Name | 3-Ethoxymethyl-5,6,7,8-tetrahydroindolizin-8-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 193.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 193.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6210109142857139 |
| Inchi | InChI=1S/C11H15NO2/c1-2-14-8-9-5-6-10-11(13)4-3-7-12(9)10/h5-6H,2-4,7-8H2,1H3 |
| Smiles | CCOCC1=CC=C2N1CCCC2=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonatum Kingianum (Plant) Rel Props:Source_db:cmaup_ingredients