7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
PubChem CID: 5319799
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| Compound Synonyms | 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one, 76884-47-4, 3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one, SCHEMBL11087009, DTXSID50415761, CHEBI:173402, AG-H-07031, 3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one |
|---|---|
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C8H10N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRYURACLPUIPBO-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.213 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.141 |
| Compound Name | 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.079 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1764585636363636 |
| Inchi | InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3 |
| Smiles | CC1=CN2CCCC2=NC1=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sanguisorba Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients