≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)NCC3CCCO3 |
|---|---|
| IUPAC Name | 4-(cyclohexanecarbonyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide |
| InChIKey | LCQLSOVTUXBNCZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H24N2O3/c20-16(12-5-2-1-3-6-12)13-9-15(18-10-13)17(21)19-11-14-7-4-8-22-14/h9-10,12,14,18H,1-8,11H2,(H,19,21) |
| Isomeric SMILES | C1CCC(CC1)C(=O)C2=CNC(=C2)C(=O)NCC3CCCO3 |
| PubChem CID | 2766018 |
| Molecular Weight | 304.39 |
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 amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Pyrrole carboxamides Aryl alkyl ketones Substituted pyrroles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - 2-heteroaryl carboxamide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Secondary carboxylic acid amide - Ketone - Dialkyl ether - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 304.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 304.179 Da |
| Monoisotopic Mass | 304.179 Da |
| Topological Polar Surface Area | 71.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
