| CAS Number | 1160247-71-1 |
| Catalog Number | AG00HD8K(AGN-PC-0WG4IR) |
| Chemical Name | TERT-BUTYL 2'-OXO-2',4'-DIHYDRO-1'H-SPIRO[PYRROLIDINE-3,3'-QUINOLINE]-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carboxylate |
| InChI | InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-9-8-17(11-19)10-12-6-4-5-7-13(12)18-14(17)20/h4-7H,8-11H2,1-3H3,(H,18,20) |
| InChI Key | AUNJZAUQELRVHO-UHFFFAOYSA-N |
| MDL Number | MFCD12198632 |
| Molecular Formula | C17H22N2O3 |
| Molecular Weight | 302.3682 |
| SMILES | O=C1NC2=CC=CC=C2CC12CN(CC2)C(=O)OC(C)(C)C |
| Synonyms | 1160247-71-1,
tert-Butyl 2'-oxo-2',4'-dihydro-1'H-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate,
Tert-Butyl 2-Oxo-2,4-Dihydro-1H-Spiro[Pyrrolidine-3,3-Quinoline]-1-Carboxylate,
SCHEMBL20721891,
MFCD12198632,
AKOS027255234,
AM805011,
CS-0037600,
t-Butyl 2'-oxo-2',4'-dihydro-1'H-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate,
tert-Butyl 2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carboxylate,
tert-Butyl2'-oxo-2',4'-dihydro-1'H-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.374g/mol |
| Monoisotopic Mass | 302.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number