| CAS Number | 131423-07-9 |
| Catalog Number | AG00AI6D(AGN-PC-0NKLRD) |
| Chemical Name | 1-(Prop-2-yn-1-yl)imidazolidin-2-one |
| IUPAC Name | 1-prop-2-ynylimidazolidin-2-one |
| InChI | InChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h1H,3-5H2,(H,7,9) |
| InChI Key | CJTPKXKFJLIBBK-UHFFFAOYSA-N |
| MDL Number | MFCD14638386 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | O=C1N(CC#C)CCN1 |
| Synonyms | 1-(prop-2-yn-1-yl)imidazolidin-2-one,
131423-07-9,
3-(2-oxo-1-imidazolidinyl)-1-propyne,
2-IMidazolidinone,1-(2-propynyl)-(9CI),
SCHEMBL2705008,
CJTPKXKFJLIBBK-UHFFFAOYSA-N,
1-(2-propynyl)-2-imidazolidinone,
1-(2-propynyl)-imidazolidin-2-one,
ZINC34624883,
AKOS010598453,
MCULE-6844168920,
NE50635,
Z1463349159,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number