N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C14H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C14H15N3O4 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H15N3O4/c18-13(14(19)17-5-1-2-6-17)16-15-8-10-3-4-11-12(7-10)21-9-20-11/h3-4,7-8H,1-2,5-6,9H2,(H,16,18) |
| InChIK | LRGFTIDKLNVRRQ-UHFFFAOYSA-N |
| TotalMolweight | 289.29 |
| Molweight | 289.29 |
| MonoisotopicMass | 289.106257 |
| CLogP | 1.6041 |
| CLogS | -3.053 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 217.08 |
| Relative PSA | 0.33444 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 5.3579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
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