| CAS Number | 91623-91-5 |
| Catalog Number | AG019WNC(AGN-PC-0224D2) |
| Chemical Name | 1-Propanoylpiperidin-4-one |
| IUPAC Name | 1-propanoylpiperidin-4-one |
| InChI | InChI=1S/C8H13NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3 |
| InChI Key | QOLXLZRNPULJIL-UHFFFAOYSA-N |
| MDL Number | MFCD09948033 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | CCC(N1CCC(=O)CC1)=O |
| Synonyms | 1-propanoylpiperidin-4-one,
91623-91-5,
AC1Q2RQ2,
SCHEMBL327614,
CTK6C6649,
ZINC19513267,
AKOS000193556,
MCULE-8794247991,
NE58785,
EN300-52482,
Z33618770,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number