N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C11H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C11H13N3O3 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C11H13N3O3/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15) |
| InChIK | HXJMRWMPLOQBQQ-UHFFFAOYSA-N |
| TotalMolweight | 235.242 |
| Molweight | 235.242 |
| MonoisotopicMass | 235.095692 |
| CLogP | 0.6814 |
| CLogS | -2.024 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 186.51 |
| Relative PSA | 0.35768 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 5.2627 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off