| CAS Number | 18327-29-2 |
| Catalog Number | AG019U2O(AGN-PC-00LW37) |
| Chemical Name | 1-(Prop-2-yn-1-yl)piperidin-2-one |
| IUPAC Name | 1-prop-2-ynylpiperidin-2-one |
| InChI | InChI=1S/C8H11NO/c1-2-6-9-7-4-3-5-8(9)10/h1H,3-7H2 |
| InChI Key | CKLYEKVPUJOEPJ-UHFFFAOYSA-N |
| MDL Number | MFCD13176297 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | O=C1N(CC#C)CCCC1 |
| Synonyms | 1-(prop-2-yn-1-yl)piperidin-2-one,
18327-29-2,
1-(prop-2-ynyl)piperidin-2-one,
1-(2-PROPYN-1-YL)-2-PIPERIDINONE,
1-Propargylpiperidine-2-one,
1-(2-propynyl)-2-piperidone,
SCHEMBL2705010,
DTXSID90534965,
CKLYEKVPUJOEPJ-UHFFFAOYSA-N,
ZINC39474555,
AKOS010600699,
MCULE-8992913420,
NE43637,
FT-0753865,
Z1340493799,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number