2-Pyrrolidinone; Enol-form
AlkaPlorer ID: AK006365
Synonym: 4,5-Dihydro-1H-pyrrol-2-ol, 3,4-Dihydro-5-hydroxy-2H-pyrrole
IUPAC Name: pyrrolidin-2-one
Structure
SMILES: OC1=NCCC1
InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey: HNJBEVLQSNELDL-UHFFFAOYSA-N
Reference
Indole Alkaloids from <i>Hunteria zeylanica</i>
PubChem CID: 12025
CAS: 616-45-5
LOTUS: LTS0065626
NPASS: NPC145895
COCONUT: CNP0127855
Source
Properties Information
Molecule Weight: 85.10600000000001
TPSA？: 32.59
MolLogP？: 0.7366999999999999
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Olfactory receptor 51E2 | EC50 | 1.9 | nM | None |
| Homo sapiens | Olfactory receptor 51E2 | Ratio | 0.525 | None | None |
| Meloidogyne incognita | Meloidogyne incognita | EC50 | 250.0 | ug.mL-1 | 10.1021/jf302075w |
| Mus musculus | Mus musculus | Degradation rate constant | 0.002 | hr-1 | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | Degradation rate constant | 0.034 | hr-1 | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | ED50 | 540.0 | umol.kg-1 | 10.1016/s0960-894x(00)00064-0 |
| Mus musculus | Mus musculus | ED50 | 600.0 | mg.kg-1 | 10.1021/jm9600196 |
| Mus musculus | Mus musculus | ED50 | 900.0 | mg.kg-1 | 10.1021/jm9600196 |
| Mus musculus | Mus musculus | ED50 | 1000.0 | umol.kg-1 | 10.1016/s0960-894x(00)00064-0 |
| Mus musculus | Mus musculus | Onset for sleep | 10.2 | min | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | Sleeping time | 24.8 | min | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | Survival rate | 102.0 | % | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | Survival rate | 107.0 | % | 10.1021/jm00106a025 |
| Mus musculus | Mus musculus | Survival ratio | 0.0 | None | 10.1021/jm00106a025 |
| Rattus norvegicus | GABA-A receptor; anion channel | IC50 | 435000000.0 | nM | 10.1021/jm9600196 |
| Rattus norvegicus | Rattus norvegicus | Degradation rate constant | 0.016 | hr-1 | 10.1021/jm00106a025 |
| Rattus norvegicus | Rattus norvegicus | Degradation rate constant | 0.018 | hr-1 | 10.1021/jm00106a025 |
| Rattus norvegicus | Rattus norvegicus | Degradation rate constant | 0.03 | hr-1 | 10.1021/jm00106a025 |
| None | ADMET | k2 | 5.59 | M-1 s-1 | 10.1021/jm000921k |
| None | ADMET | kOH | 1.2 | M-1 s-1 | 10.1021/jm0111245 |
| None | ADMET | TD50 | 900.0 | mg kg-1 | 10.1021/jm9600196 |
| None | Erythroleukemia cell line | Benzidine positive cells | 89.0 | % | 10.1021/jm00141a016 |
| None | Erythroleukemia cell line | Cell growth | 26.0 | % | 10.1021/jm00141a016 |
| None | Erythroleukemia cell line | Cell growth | 100.0 | % | 10.1021/jm00141a016 |
| None | Erythroleukemia cell line | Concentration | 100.0 | mM | 10.1021/jm00141a016 |
| None | No relevant target | CLogP | -1.12 | None | 10.1021/jm00001a022 |
| None | No relevant target | Degradation rate constant | 0.0001 | hr-1 | 10.1021/jm00106a025 |
| None | No relevant target | LogD5.0 | -0.85 | None | 10.1021/jm00106a025 |
| None | No relevant target | LogP | -0.71 | None | 10.1021/jm00001a022 |
| None | No relevant target | Saq | nan | None | 10.1021/jm00106a025 |