(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
PubChem CID: 25195169
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| Compound Synonyms | CHEMBL556470 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C11H17NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WOZPVGYGEASHHK-YDFGWWAZSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.268 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.272 |
| Compound Name | (2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.8546243999999996 |
| Inchi | InChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)/b6-4+,7-5+ |
| Smiles | CC(C)CNC(=O)/C=C/C=C/C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all