| CAS Number | 82993-35-9 |
| Catalog Number | AG019M0N(AGN-PC-0KK8SL) |
| Chemical Name | 1-(Pyridin-3-yl)pyrrolidine-2,5-dione |
| IUPAC Name | 1-pyridin-3-ylpyrrolidine-2,5-dione |
| InChI | InChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2 |
| InChI Key | RYONIULDAJSXIO-UHFFFAOYSA-N |
| MDL Number | MFCD00113976 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C1N(C2=CN=CC=C2)C(=O)CC1 |
| Synonyms | 1-(pyridin-3-yl)pyrrolidine-2,5-dione,
1-pyridin-3-ylpyrrolidine-2,5-dione,
82993-35-9,
AC1MC7WT,
AC1Q6EIY,
Maybridge3_005712,
Oprea1_848426,
SCHEMBL1950379,
CTK7H3246,
HMS1447D14,
ZINC104034,
AKOS002845321,
MCULE-8620086214,
NE11246,
SDCCGMLS-0065603.P001,
IDI1_017099,
EN300-33633,
ZINC00104034,
CID2737832,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number