Pent-4-enamide
PubChem CID: 11815293
Connections displayed (default: 10).
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| Compound Synonyms | Pent-4-enamide, 4-Pentenamide, 6852-94-4, Pent-4-enoic acid amide, MFCD17015388, allylacetamide, allyl acetamide, DTXSID20473353, DVFGVGYKHMQZJC-UHFFFAOYSA-N, AKOS006239817, SY201182, EN300-210701, 828-837-4 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-4-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C5H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVFGVGYKHMQZJC-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.352 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.452 |
| Compound Name | Pent-4-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 99.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 99.0684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 99.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8362246 |
| Inchi | InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7) |
| Smiles | C=CCCC(=O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients