1-[4-(Methoxymethyl)benzoyl]pyrrolidin-2-one
PubChem CID: 162826329
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| Topological Polar Surface Area | 46.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[4-(methoxymethyl)benzoyl]pyrrolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C13H15NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVNZCNJVWCHERR-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -1.999 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.924 |
| Compound Name | 1-[4-(Methoxymethyl)benzoyl]pyrrolidin-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 233.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 233.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0772318705882347 |
| Inchi | InChI=1S/C13H15NO3/c1-17-9-10-4-6-11(7-5-10)13(16)14-8-2-3-12(14)15/h4-7H,2-3,8-9H2,1H3 |
| Smiles | COCC1=CC=C(C=C1)C(=O)N2CCCC2=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients