| CAS Number | 83728-66-9 |
| Catalog Number | AG008IHJ(AGN-PC-00KF1K) |
| Chemical Name | 2-[(Pyrrolidin-1-yl)carbonyl]pyridine |
| IUPAC Name | pyridin-2-yl(pyrrolidin-1-yl)methanone |
| InChI | InChI=1S/C10H12N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h1-2,5-6H,3-4,7-8H2 |
| InChI Key | VVSBDPSFOBQHNU-UHFFFAOYSA-N |
| MDL Number | MFCD10652053 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | O=C(c1ccccn1)N1CCCC1 |
| Synonyms | 2-[(Pyrrolidin-1-yl)carbonyl]pyridine,
83728-66-9,
Pyrrolidine, 1-(2-pyridinylcarbonyl)-,
2-(Pyrrolizinocarbonyl)pyridine,
SCHEMBL3390298,
CTK2I6102,
DTXSID30514807,
AKOS008928224,
MCULE-1614011084,
(Pyridin-2-yl)(pyrrolidin-1-yl)methanone,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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