2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
PubChem CID: 4819
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| Compound Synonyms | 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one, 3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Pilocarpine, (+)-, 4354-74-9, Pilocarpine-, xi,xi-pilocarpine, Ocucarpine, Ocusert P 20, Ocusert Pilo, Salagen (Salt/Mix), Almocarpine (Salt/Mix), SCHEMBL41890, CHEMBL4073182, CHEBI:39460, Pilocarpine-d3 HCl (deuterated), DTXSID70858994, QCHFTSOMWOSFHM-UHFFFAOYSA-N, BCP26147, STL432280, AKOS030242239, L001181, AI3-50523, AI3 50523, AI350523, 1-Methyl-5-(5-oxo-4-ethyltetrahydro-3-furylmethyl)imidazole, 3-ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydro-2(3H)-furanone, 4-[(1-methyl-1h-imidazol-5-yl)methyl]-3-ethyldihydro-2(3h)-furanone, 3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone-, (3S-cis)- #, 3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone-, (3S,4R)-, Imidazole-5-butyric acid, .alpha.-ethyl-.beta.-(hydroxymethyl)-1-methyl-, .gamma.-lactone |
|---|---|
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C11H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QCHFTSOMWOSFHM-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.2554848666666667 |
| Inchi | InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3 |
| Smiles | CCC1C(COC1=O)CC2=CN=CN2C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkaloids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients