5,5-Dimethyl-2-pyrrolidinone - CAS 5165-28-6
Catalog: |
BB027536 |
Product Name: |
5,5-Dimethyl-2-pyrrolidinone |
CAS: |
5165-28-6 |
Synonyms: |
5,5-dimethyl-2-pyrrolidinone; 5,5-dimethylpyrrolidin-2-one |
IUPAC Name: | 5,5-dimethylpyrrolidin-2-one |
Description: | 5,5-Dimethyl-2-pyrrolidinone (CAS# 5165-28-6) is a versatile building block used in the synthesis of various chemical compounds, such as novel, Induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. |
Molecular Weight: | 113.16 |
Molecular Formula: | C6H11NO |
Canonical SMILES: | CC1(CCC(=O)N1)C |
InChI: | InChI=1S/C6H11NO/c1-6(2)4-3-5(8)7-6/h3-4H2,1-2H3,(H,7,8) |
InChI Key: | UUTGCNVYKLQLRV-UHFFFAOYSA-N |
Boiling Point: | 229.204 °C at 760 mmHg |
Density: | 0.946 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00128876 |
LogP: | 1.00380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021163348-A2 | Low toxicity nmp substitutes and uses thereof | 20200214 |
WO-2021121327-A1 | Substituted straight chain spiro derivatives | 20191219 |
CN-112625153-A | Catalyst component for olefin polymerization, preparation method, catalyst and application thereof | 20191009 |
US-2021070761-A1 | Cdk inhibitors and their use as pharmaceuticals | 20190911 |
WO-2021050824-A1 | Cdk inhibitors and their use as pharmaceuticals | 20190911 |
PMID | Publication Date | Title | Journal |
15941333 | 20050615 | Investigation of the presence of OH radicals in electrolyzed NaCl solution by electron spin resonance spectroscopy | Journal of agricultural and food chemistry |
15941334 | 20050615 | 5,5-Dimethyl-2-pyrrolidone-N-oxyl formation in electron spin resonance studies of electrolyzed NaCl solution using 5,5-dimethyl-1-pyrroline-N-oxide as a spin trapping agent | Journal of agricultural and food chemistry |
12785055 | 20030201 | Singlet oxygen-mediated hydroxyl radical production in the presence of phenols: whether DMPO-*OH formation really indicates production of *OH? | Photochemistry and photobiology |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Pyrrolidines
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