| CAS Number | 938458-96-9 |
| Catalog Number | AG00GVSX(AGN-PC-0WB3DB) |
| Chemical Name | 1-[4-(Pyrrolidin-1-ylmethyl)-2-thienyl]ethanone |
| IUPAC Name | 1-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]ethanone |
| InChI | InChI=1S/C11H15NOS/c1-9(13)11-6-10(8-14-11)7-12-4-2-3-5-12/h6,8H,2-5,7H2,1H3 |
| InChI Key | GVRGMBBQSPKGIG-UHFFFAOYSA-N |
| MDL Number | MFCD09055266 |
| Molecular Formula | C11H15NOS |
| Molecular Weight | 209.3079 |
| SMILES | C1(C(C)=O)=CC(=CS1)CN1CCCC1 |
| Synonyms | 938458-96-9,
1-[4-(PYRROLIDIN-1-YLMETHYL)-2-THIENYL]ETHANONE,
1-(4-(Pyrrolidin-1-ylmethyl)thiophen-2-yl)ethanone,
CTK5H3504,
DTXSID40650826,
ZX-CM003227,
FCH932993,
MFCD09055266,
ZINC19088895,
AKOS006341657,
AJ-71067,
Y-5096,
1-[4-(1-Pyrrolidinylmethyl)-2-thienyl]ethanone,
1-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]ethan-1-one,
4009599-25G,
1-{4-[(Pyrrolidin-1-yl)methyl]thiophen-2-yl}ethan-1-one,
1-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]ethanone, AldrichCPR,
1-[4- -2-THIENYL]ETHANONE,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.307g/mol |
| Monoisotopic Mass | 209.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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