1-Methylpyrrolidine
AlkaPlorer ID: AK006709
Synonym: None
IUPAC Name: 1-methylpyrrolidine
Structure
SMILES: CN1CCCC1
InChI: InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKey: AVFZOVWCLRSYKC-UHFFFAOYSA-N
Reference
A New Toxic Alkylpyrrolidine Alkaloid from<i>Arisarum vulgare</i>
PubChem CID: 8454
CAS: 120-94-5
LOTUS: LTS0038929
SuperNatural Ⅲ: SN0016292
COCONUT: CNP0395436
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arisarum vulgare | Arisarum | Araceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 85.15
TPSA？: 3.24
MolLogP？: 0.712
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor | Enhancement | 6.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Inhibition | 120.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 52000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 590000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | nan | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Mean enhancement of binding | 4.1 | None | 10.1021/jm00147a021 |
| None | No relevant target | Activity | nan | None | 10.1016/j.bmcl.2012.04.009 |
| None | No relevant target | pKa | 10.3 | None | 10.1007/s11095-013-1232-z |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2012.04.009 |