≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504771773 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771773 |
| Canonical Smiles | C#CCCCC(=O)ON1C(=O)CCC1=O |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) hex-5-ynoate |
| InChIKey | CXSSWEBEHUYETJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h1H,3-7H2 |
| Isomeric SMILES | C#CCCCC(=O)ON1C(=O)CCC1=O |
| Molecular Weight | 209.2 |
| Reaxy-Rn | 10347800 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10347800&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Dicarboximide - Lactam - Acetylide - Azacycle - Monocarboxylic acid or derivatives - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2218036 | Certificate of Analysis | Jun 09, 2025 | A171448 |
| H2218037 | Certificate of Analysis | Jun 09, 2025 | A171448 |
| J1817047 | Certificate of Analysis | May 10, 2024 | A171448 |
| J1817046 | Certificate of Analysis | May 10, 2024 | A171448 |
| Solubility | good in organic solvents (DMF, DMSO, DCM) |
|---|---|
| Molecular Weight | 209.200 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 209.069 Da |
| Monoisotopic Mass | 209.069 Da |
| Topological Polar Surface Area | 63.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 323.000 |
| 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 |
| 1. He Ji-Xiang, Fei Zheng-Cong, Fu Ling, Tian Cai-Ping, He Fu-Chu, Chi Hao, Yang Jing. (2022) A modification-centric assessment tool for the performance of chemoproteomic probes. Nature Chemical Biology, 18 (8): (904-912). [PMID:35864333] [10.1038/s41589-022-01074-8] |
| 2. Ma Ke, Chen Sixian, Zhang Jun, Jia Xinglong, Fan Rufeng, Li Mingjun, Dong Li, Tan Minjia, Zhao Wensi, Xie Dong. (2025) Characterization of endogenous SUMOylation sites by click chemistry-based proteomics. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:40522366] [10.1007/s00216-025-05957-2] |
