1-Methyl-5-oxopyrrolidine-3-carbonitrile - CAS 172261-37-9
Catalog: |
BB012804 |
Product Name: |
1-Methyl-5-oxopyrrolidine-3-carbonitrile |
CAS: |
172261-37-9 |
Synonyms: |
1-methyl-5-oxo-3-pyrrolidinecarbonitrile; 1-methyl-5-oxopyrrolidine-3-carbonitrile |
IUPAC Name: | 1-methyl-5-oxopyrrolidine-3-carbonitrile |
Description: | 1-Methyl-5-oxopyrrolidine-3-carbonitrile (CAS# 172261-37-9) is used as a reactant in the preparation of fused thiazole derivatives as 5-HT3 receptor agonists or antagonists. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CN1CC(CC1=O)C#N |
InChI: | InChI=1S/C6H8N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2,4H2,1H3 |
InChI Key: | BJKKPDLNTVOVON-UHFFFAOYSA-N |
MDL: | MFCD18819188 |
LogP: | -0.07382 |
Publication Number | Title | Priority Date |
WO-2011073444-A2 | Azoline compounds for combating invertebrate pests | 20091218 |
TW-389765-B | 5-HT3 receptor agonists, novel thiazole derivatives and intermediate thereof | 19950310 |
CN-1143364-A | 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof | 19940311 |
EP-0749966-A1 | 5-ht 3 receptor agonist, novel thiazole derivative, and intermediate therefor | 19940311 |
US-5834499-A | 5-HT3 receptor agonist, novel thiazole derivative and intermediate thereof | 19940311 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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