5-Ethylhydantoin
PubChem CID: 253217
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| Compound Synonyms | 5-Ethylhydantoin, 5-ethylimidazolidine-2,4-dione, 15414-82-1, 2-Ethylhydantoin, ethylhydantoin, TWN24H4XJJ, 5-ethylimidazoline-2,4-dione, NSC-75832, 5-Ethylhydantoin (~80%), HYDANTOIN, 5-ETHYL-, 5-Ethyl-2,4-imidazolidinedione, DTXSID301019316, 2,4-Imidazolidinedione, 5-ethyl-, NSC 75832, NSC75832, MFCD00059161, UNII-TWN24H4XJJ, SCHEMBL191784, DTXCID901477291, 5-Ethyl-2,4-imidazolidinedione #, AKOS009139479, DB-043215, CS-0084710, E0286, EN300-96932, F15491, Z270832922, 842-403-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C1 |
| Np Classifier Class | Simple diketopiperazine alkaloids |
| Deep Smiles | CCCNC=O)NC5=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Azolidines |
| Scaffold Graph Node Level | OC1CNC(O)N1 |
| Classyfire Subclass | Imidazolidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethylimidazolidine-2,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8N2O2 |
| Scaffold Graph Node Bond Level | O=C1CNC(=O)N1 |
| Inchi Key | RSBRXBZGVHQUJK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-ethyl-hydantoin |
| Esol Class | Very soluble |
| Functional Groups | O=C1CNC(=O)N1 |
| Compound Name | 5-Ethylhydantoin |
| Exact Mass | 128.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.13 |
| 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/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9) |
| Smiles | CCC1C(=O)NC(=O)N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965