3-Hydroxy-2-pyrrolidinone - CAS 15166-68-4
Catalog: |
BB010699 |
Product Name: |
3-Hydroxy-2-pyrrolidinone |
CAS: |
15166-68-4 |
Synonyms: |
3-hydroxy-2-pyrrolidinone; 3-hydroxypyrrolidin-2-one |
Description: | 3-Hydroxy-2-pyrrolidinone (CAS# 15166-68-4) is a useful research chemical. |
Molecular Weight: | 101.10 |
Molecular Formula: | C4H7NO2 |
Canonical SMILES: | C1CNC(=O)C1O |
InChI: | InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7) |
InChI Key: | FRKGSNOMLIYPSH-UHFFFAOYSA-N |
Boiling Point: | 363.637 °C at 760 mmHg |
Density: | 1.292 g/cm3 |
LogP: | -0.80400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2021081375-A1 | Inhibitors of raf kinases | 20191024 |
US-11098031-B1 | Inhibitors of RAF kinases | 20191024 |
US-2021300904-A1 | Inhibitors of raf kinases | 20191024 |
CN-109528711-A | The application of pyrrolidones | 20190111 |
PMID | Publication Date | Title | Journal |
16616492 | 20060615 | A practical synthesis of the major 3-hydroxy-2-pyrrolidinone metabolite of a potent CDK2/cyclin A inhibitor | Bioorganic & medicinal chemistry letters |
Complexity: | 91.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 101.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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