(E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoate
Formula:C8H10NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoate |
| MolecularFormula | C8H10NO3 |
| Smiles | [O-]C(/C=C/C(N1CCCC1)=O)=O |
| InChI | InChI=1S/C8H11NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h3-4H,1-2,5-6H2,(H,11,12)/p-1 |
| InChIK | PRWOFATVPNXQOZ-UHFFFAOYSA-M |
| TotalMolweight | 168.171 |
| Molweight | 168.171 |
| MonoisotopicMass | 168.066069 |
| CLogP | -1.9836 |
| CLogS | -0.562 |
| H Acceptors | 4 |
| TotalSurfaceArea | 134.87 |
| Relative PSA | 0.32557 |
| PolarSurfaceArea | 60.44 |
| Druglikeness | 2.5667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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