| CAS Number | 664364-28-7 |
| Catalog Number | AG00IBLP(AGN-PC-0TKV2G) |
| Chemical Name | tert-Butyl 3-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H21NO4/c1-5-17-11(15)8-10-6-7-14(9-10)12(16)18-13(2,3)4/h8H,5-7,9H2,1-4H3/b10-8- |
| InChI Key | QQKMHRDPNWLDBQ-NTMALXAHSA-N |
| MDL Number | MFCD23106155 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(N1C/C(CC1)=C/C(OCC)=O)OC(C)(C)C |
| Synonyms | 1-Boc-3-(2-ethoxy-2-oxoethylidene)pyrrolidine,
664364-28-7,
tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate,
tert-butyl-3-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate,
SCHEMBL1900963,
MFCD23106155,
ZINC95743183,
tert-butyl (3Z)-3-(2-ethoxy-2-,
AKOS027469913,
oxoethylidene)pyrrolidine-1-carboxylate,
PB37067,
SB20939,
AS-51836,
Q-1689,
1-Boc-(3Z)-3-(2-Ethoxy-2-oxoethylidene)pyrrolidine,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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