| CAS Number | 766-61-0 |
| Catalog Number | AG005W1V(AGN-PC-0NJ24L) |
| Chemical Name | 1-(Prop-2-yn-1-yl)pyrrolidin-2-one |
| IUPAC Name | 1-prop-2-ynylpyrrolidin-2-one |
| InChI | InChI=1S/C7H9NO/c1-2-5-8-6-3-4-7(8)9/h1H,3-6H2 |
| InChI Key | QRGALCLKIGCPJI-UHFFFAOYSA-N |
| MDL Number | MFCD09031495 |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.1525 |
| SMILES | O=C1N(CC#C)CCC1 |
| Synonyms | 1-(prop-2-yn-1-yl)pyrrolidin-2-one,
766-61-0,
1-(2-Propyn-1-yl)pyrrolidin-2-one,
n-propargylpyrrolidinone,
AC1Q6EQN,
N-propargyl-2-pyrrolidone,
N-propargyl-2-pyrrolidinone,
1-propargyl pyrrolidin-2-one,
SCHEMBL1244165,
CTK2H5546,
DTXSID80499296,
QRGALCLKIGCPJI-UHFFFAOYSA-N,
1-prop-2-yn-1-ylpyrrolidin-2-one,
ZINC21993361,
AKOS005216956,
MCULE-2593192702,
NE35063,
1-PROP-2-YNYL-PYRROLIDIN-2-ONE,
AJ-79831,
EN300-71836,
Z1785220628,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.155g/mol |
| Monoisotopic Mass | 123.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number