(3E)-3-benzylidenepyrrolidin-2-one
Formula:C11H11NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-benzylidenepyrrolidin-2-one is a drug-like molecule.
| MolName | (3E)-3-benzylidenepyrrolidin-2-one |
| MolecularFormula | C11H11NO |
| Smiles | O=C1NCC/C1=C\c1ccccc1 |
| InChI | InChI=1S/C11H11NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13) |
| InChIK | OMARMBRFLQVQJA-UHFFFAOYSA-N |
| TotalMolweight | 173.214 |
| Molweight | 173.214 |
| MonoisotopicMass | 173.084064 |
| CLogP | 1.5835 |
| CLogS | -2.231 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 141.2 |
| Relative PSA | 0.17351 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 3.5432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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