Ethanone, 1-(methylenecyclopropyl)-
PubChem CID: 538520
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| Compound Synonyms | Ethanone, 1-(methylenecyclopropyl)-, 62266-35-7, 1-(2-Methylenecyclopropyl)ethanone, 1-(2-methylidenecyclopropyl)ethanone, 2-acetyl-1-methylenecyclopropane, DTXSID20337087, ALSUBMCOHAICPJ-UHFFFAOYSA-N, CHEBI:131398, 1-(2-Methylenecyclopropyl)ethanone # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC1 |
| Deep Smiles | CC=O)CCC3=C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methylidenecyclopropyl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O |
| Scaffold Graph Node Bond Level | C=C1CC1 |
| Inchi Key | ALSUBMCOHAICPJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-(methylenecyclopropyl)- ethanone |
| Esol Class | Very soluble |
| Functional Groups | C=C1CC1, CC(C)=O |
| Compound Name | Ethanone, 1-(methylenecyclopropyl)- |
| Exact Mass | 96.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 96.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8O/c1-4-3-6(4)5(2)7/h6H,1,3H2,2H3 |
| Smiles | CC(=O)C1CC1=C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1232609