| CAS Number | 1615221-99-2 |
| Catalog Number | AG01C2W6 |
| Chemical Name | Tert-butyl 2-formyl-4-methylpyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-formyl-4-methylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h7-9H,5-6H2,1-4H3 |
| InChI Key | HAYNQPVPECFGBT-UHFFFAOYSA-N |
| MDL Number | MFCD24542057 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CC1CN(C(OC(C)(C)C)=O)C(C=O)C1 |
| Synonyms | tert-butyl 2-formyl-4-methylpyrrolidine-1-carboxylate,
1615221-99-2,
(2R,4R)-tert-Butyl 2-formyl-4-methylpyrrolidine-1-carboxylate,
1932442-82-4,
200184-61-8,
SCHEMBL1914633,
CS-0079327,
(2S,4S)-tert-butyl 2-formyl-4-methylpyrrolidine-1-carboxylate,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number