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Basic Description
| Synonyms | 5,5-dimethylpyrrolidin-2-one | 5165-28-6 | 5,5-dimethyl-2-pyrrolidinone | 5,5-Dimethyl-2-pyrrolidone | 2-Pyrrolidinone, 5,5-dimethyl- | 5,5-dimethyl-pyrrolidin-2-one | MFCD00128876 | 5,5-Dimethylpyrrolidine-2-One | 5,5-dimethylpyrrolid-2-one | SCHEMBL117982 | SCHEMBL9058519 | |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Pyrrolidones
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504766045 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766045 |
| IUPAC Name | 5,5-dimethylpyrrolidin-2-one |
| INCHI | InChI=1S/C6H11NO/c1-6(2)4-3-5(8)7-6/h3-4H2,1-2H3,(H,7,8) |
| InChIKey | UUTGCNVYKLQLRV-UHFFFAOYSA-N |
| Smiles | CC1(CCC(=O)N1)C |
| Isomeric SMILES | CC1(CCC(=O)N1)C |
| Molecular Weight | 113.16 |
| Reaxy-Rn | 107163 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107163&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2115178 |
Certificate of Analysis | Sep 12, 2024 | D193696 |
| L2115179 |
Certificate of Analysis | Sep 12, 2024 | D193696 |
| L2115180 |
Certificate of Analysis | Sep 12, 2024 | D193696 |
| L2115181 |
Certificate of Analysis | Sep 12, 2024 | D193696 |
Chemical and Physical Properties
| Molecular Weight | 113.160 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.084 Da |
| Monoisotopic Mass | 113.084 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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