| CAS Number | 379726-62-2 |
| Catalog Number | AG019OHC |
| Chemical Name | ethyl 2-amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate |
| IUPAC Name | ethyl 5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carboxylate |
| InChI | InChI=1S/C13H14N2O3/c1-2-18-13(17)10-8-11(16)15(12(10)14)9-6-4-3-5-7-9/h3-7H,2,8,14H2,1H3 |
| InChI Key | XBKXRZAFZYJPRC-UHFFFAOYSA-N |
| MDL Number | MFCD03152482 |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.2619 |
| SMILES | CCOC(C1CC(=O)N(C2=CC=CC=C2)C=1N)=O |
| Synonyms | ethyl 2-amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate,
379726-62-2,
EN300-14015,
AC1M6AKT,
MLS000568486,
AC1Q331Q,
CHEMBL1599750,
CTK6F4893,
HMS2308C20,
ZINC3226948,
AKOS000122841,
MCULE-1797628808,
SMR000154572,
SR-01000032511,
SR-01000032511-1,
Z55550007,
ethyl 5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carboxylate,
ZINC03226948,
CID2345126,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.266g/mol |
| Monoisotopic Mass | 246.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number