1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
Formula:C14H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide |
| MolecularFormula | C14H16N2O2 |
| Smiles | NC(C(CCC1)N1C(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C14H16N2O2/c15-14(18)12-7-4-10-16(12)13(17)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H2,15,18)/t12-/m0/s1 |
| InChIK | MERXNPGGVHZRDJ-LBPRGKRZSA-N |
| TotalMolweight | 244.293 |
| Molweight | 244.293 |
| MonoisotopicMass | 244.121178 |
| CLogP | 1.1357 |
| CLogS | -2.244 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 194.36 |
| Relative PSA | 0.23101 |
| PolarSurfaceArea | 63.4 |
| Druglikeness | 5.1439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
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