| CAS Number | 120656-57-7 |
| Catalog Number | AG00951C(AGN-PC-000K9Q) |
| Chemical Name | 1-Benzyl-5-oxopyrrolidine-3-carbonitrile |
| IUPAC Name | 1-benzyl-5-oxopyrrolidine-3-carbonitrile |
| InChI | InChI=1S/C12H12N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2 |
| InChI Key | CDDZWHLPCYLXLK-UHFFFAOYSA-N |
| MDL Number | MFCD10004084 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | O=C1N(CC2=CC=CC=C2)CC(C#N)C1 |
| Synonyms | 1-benzyl-5-oxopyrrolidine-3-carbonitrile,
120656-57-7,
SCHEMBL9634725,
AKOS013529221,
FCH4976561,
MCULE-5989476970,
NE28745,
BBV-38682116,
EN300-115460,
F2147-0738,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number