1-Allyl-5-oxopyrrolidine-3-carboxylic acid - CAS 16199-99-8
Catalog: |
BB011810 |
Product Name: |
1-Allyl-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
16199-99-8 |
Synonyms: |
5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid |
IUPAC Name: | 5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid |
Description: | 1-Allyl-5-oxopyrrolidine-3-carboxylic acid (CAS# 16199-99-8) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C8H11NO3 |
Canonical SMILES: | C=CCN1CC(CC1=O)C(=O)O |
InChI: | InChI=1S/C8H11NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h2,6H,1,3-5H2,(H,11,12) |
InChI Key: | NQPNARIZMOTIPS-UHFFFAOYSA-N |
Boiling Point: | 380.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.228 g/cm3 |
MDL: | MFCD03670868 |
LogP: | 0.04340 |
Publication Number | Title | Priority Date |
EP-3194365-A1 | Pyrrolidone derivatives, oligomers and polymers | 20140914 |
US-2017246323-A1 | Pyrrolidone derivatives, oligomers and polymers | 20140914 |
US-2019352258-A1 | Pyrrolidone derivatives, oligomers and polymers | 20140914 |
WO-2016040962-A1 | Pyrrolidone derivatives, oligomers and polymers | 20140914 |
US-10968176-B2 | Pyrrolidone derivatives, oligomers and polymers | 20140914 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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Related Functional Groups
Pyrrolidines
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