≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763119 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763119 |
| Canonical Smiles | C#CCN1C(=O)CCC1=O |
| IUPAC Name | 1-prop-2-ynylpyrrolidine-2,5-dione |
| InChIKey | DOTAQRZGKATJIC-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2 |
| Isomeric SMILES | C#CCN1C(=O)CCC1=O |
| Molecular Weight | 137.14 |
| Reaxy-Rn | 1525668 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525668&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid imides |
| Direct Parent | N-substituted carboxylic acid imides |
| Alternative Parents | Pyrrolidine-2-ones N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Organoheterocyclic compound - Acetylide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H). |
| 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 |
|---|---|---|---|
 E2320592 | Certificate of Analysis | Apr 10, 2023 | N159130 |
| E2320597 | Certificate of Analysis | Apr 10, 2023 | N159130 |
| E2320621 | Certificate of Analysis | Apr 10, 2023 | N159130 |
| E2320622 | Certificate of Analysis | Apr 10, 2023 | N159130 |
| Boil Point(°C) | 237°C(lit.) |
|---|---|
| Melt Point(°C) | 53 °C |
| Molecular Weight | 137.140 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 137.048 Da |
| Monoisotopic Mass | 137.048 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
