| CAS Number | 78909-14-5 |
| Catalog Number | AG00ICZ9(AGN-PC-0WQWU5) |
| Chemical Name | 1-[(Thiophen-3-yl)carbonyl]pyrrolidine |
| IUPAC Name | pyrrolidin-1-yl(thiophen-3-yl)methanone |
| InChI | InChI=1S/C9H11NOS/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7H,1-2,4-5H2 |
| InChI Key | DPTMLBYTVOPWET-UHFFFAOYSA-N |
| MDL Number | MFCD11742078 |
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.2547 |
| SMILES | O=C(c1cscc1)N1CCCC1 |
| Synonyms | 1-[(Thiophen-3-yl)carbonyl]pyrrolidine,
78909-14-5,
pyrrolidin-1-yl(thiophen-3-yl)methanone,
3-(Pyrrolizinocarbonyl)thiophene,
SCHEMBL10682436,
1-(3-thienylcarbonyl)pyrrolidine,
DPTMLBYTVOPWET-UHFFFAOYSA-N,
1-(3-thienylcarbonyl) pyrrolidine,
ZINC32731156,
AKOS008981788,
MCULE-1375103583,
AB01002509-01,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.253g/mol |
| Monoisotopic Mass | 181.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number