| CAS Number | 1228670-27-6 |
| Catalog Number | AG00HH4R(AGN-PC-0WBQTA) |
| Chemical Name | (E)-Methyl 3-(2-methoxy-6-(pyrrolidin-1-yl)-pyridin-3-yl)acrylate |
| IUPAC Name | methyl (E)-3-(2-methoxy-6-pyrrolidin-1-ylpyridin-3-yl)prop-2-enoate |
| InChI | InChI=1S/C14H18N2O3/c1-18-13(17)8-6-11-5-7-12(15-14(11)19-2)16-9-3-4-10-16/h5-8H,3-4,9-10H2,1-2H3/b8-6+ |
| InChI Key | PSIKWHHQFIKLJX-SOFGYWHQSA-N |
| MDL Number | MFCD15530248 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | COC(=O)/C=C/c1ccc(nc1OC)N1CCCC1 |
| Synonyms | (E)-METHYL 3-(2-METHOXY-6-(PYRROLIDIN-1-YL)-PYRIDIN-3-YL)ACRYLATE,
1228670-27-6,
(E)-Methyl 3-(2-methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate,
AC1Q41JX,
2684AD,
MFCD15530248,
ZINC39961258,
AKOS015852016,
TR-071234,
K-1757,
methyl (2E)-3-[2-methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl]prop-2-enoate,
(E)-Methyl 3-(2-methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)acrylate, AldrichCPR,
C14H18N2O3,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number