2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)-
PubChem CID: 16637983
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| Compound Synonyms | 4-Hydroxycinnamamide, 194940-15-3, 4-hydroxycinnamide, (E)-3-(4-hydroxyphenyl)prop-2-enamide, AA6QNK95YZ, (E)-p-Coumaramide, UNII-AA6QNK95YZ, 2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)-, (2E)-3-(4-Hydroxyphenyl)-2-propenamide, (E)-3-(4-Hydroxyphenyl)acrylamide, 59576-98-6, 2-Propenamide,3-(4-hydroxyphenyl)-,(2E)-, SCHEMBL214614, CHEMBL4209145, HY-N1901, AKOS000277252, FS-10538, CS-0017859 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSMLJOHWFORNLY-ZZXKWVIFSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.242 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.948 |
| Compound Name | 2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 163.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0661912 |
| Inchi | InChI=1S/C9H9NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)N)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients