1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-
PubChem CID: 534045
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| Compound Synonyms | 54060-80-9, 1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-, 1-Methacryloyl imidazole, N-(2-Methylacryloyl)imidazola, SCHEMBL2346666, 1-Methacryloyl-1H-imidazole #, DTXSID70336484, OMRBLVYISVXTDL-UHFFFAOYSA-N, MFCD30062950, 1-(1H-Imidazol-1-yl)-2-methylprop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 34.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-imidazol-1-yl-2-methylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C7H8N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMRBLVYISVXTDL-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | 0.226 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.494 |
| Compound Name | 1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.064 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3127548 |
| Inchi | InChI=1S/C7H8N2O/c1-6(2)7(10)9-4-3-8-5-9/h3-5H,1H2,2H3 |
| Smiles | CC(=C)C(=O)N1C=CN=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients