(2Z)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile
Formula:C13H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile is a drug-like molecule.
| MolName | (2Z)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile |
| MolecularFormula | C13H12N2O |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C1/NCCC1 |
| InChI | InChI=1S/C13H12N2O/c14-9-11(12-7-4-8-15-12)13(16)10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-8H2 |
| InChIK | MNDUHSMHAUGMNN-UHFFFAOYSA-N |
| TotalMolweight | 212.251 |
| Molweight | 212.251 |
| MonoisotopicMass | 212.094963 |
| CLogP | 1.6757 |
| CLogS | -3.193 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 174.88 |
| Relative PSA | 0.21763 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -4.3075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile | 2 - (2Z)-3-oxo-3-phenyl-2-pyrrolidin-2-ylidenepropanenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off