6-Acetyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
PubChem CID: 5320330
Connections displayed (default: 10).
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| Topological Polar Surface Area | 68.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-acetyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C19H20N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YYZFZZKNFUTDNE-UHFFFAOYSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -4.194 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.59 |
| Compound Name | 6-Acetyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 340.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.142 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2164498000000004 |
| Inchi | InChI=1S/C19H20N2O4/c1-10(22)17-11-7-16-19(8-14(20-17)12(11)9-25-16)13-5-3-4-6-15(13)21(24-2)18(19)23/h3-6,11-12,14,16H,7-9H2,1-2H3 |
| Smiles | CC(=O)C1=NC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients