(3Z)-6-methoxy-3-(3-methylbut-2-enylidene)-1H-indol-2-one
PubChem CID: 44470780
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-6-methoxy-3-(3-methylbut-2-enylidene)-1H-indol-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACAYJUFAIJJELS-SDQBBNPISA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.585 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.551 |
| Compound Name | (3Z)-6-methoxy-3-(3-methylbut-2-enylidene)-1H-indol-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 229.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 229.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.406706270588235 |
| Inchi | InChI=1S/C14H15NO2/c1-9(2)4-6-12-11-7-5-10(17-3)8-13(11)15-14(12)16/h4-8H,1-3H3,(H,15,16)/b12-6- |
| Smiles | CC(=C/C=C\1/C2=C(C=C(C=C2)OC)NC1=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dicranopteris Linearis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pholidota Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Phytolacca Dioica (Plant) Rel Props:Source_db:cmaup_ingredients