(7Z)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one
PubChem CID: 5316593
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7Z)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C20H24N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXIZTCDEVAKIBV-KGVSQERTSA-N |
| Fcsp3 | 0.55 |
| Logs | -2.939 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.785 |
| Compound Name | (7Z)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.184 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1830288000000007 |
| Inchi | InChI=1S/C20H24N2O2/c1-3-12-10-22(2)17-9-20(18-8-13(12)14(17)11-24-18)15-6-4-5-7-16(15)21-19(20)23/h3-7,13-14,17-18H,8-11H2,1-2H3,(H,21,23)/b12-3+ |
| Smiles | C/C=C/1\CN(C2CC3(C4CC1C2CO4)C5=CC=CC=C5NC3=O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients