| CAS Number | 866620-34-0 |
| Catalog Number | AG01A1FM(AGN-PC-0CRZP9) |
| Chemical Name | 1-(6-aminopyridin-3-yl)pyrrolidin-2-one |
| IUPAC Name | 1-(6-aminopyridin-3-yl)pyrrolidin-2-one |
| InChI | InChI=1S/C9H11N3O/c10-8-4-3-7(6-11-8)12-5-1-2-9(12)13/h3-4,6H,1-2,5H2,(H2,10,11) |
| InChI Key | CTPYSIBFHAXDIM-UHFFFAOYSA-N |
| MDL Number | MFCD18306528 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | NC1=NC=C(N2C(=O)CCC2)C=C1 |
| Synonyms | 1-(6-aminopyridin-3-yl)pyrrolidin-2-one,
866620-34-0,
2-Pyrrolidinone, 1-(6-amino-3-pyridinyl)-,
1-(6-amino-pyridin-3-yl)-pyrrolidin-2-one,
SCHEMBL1269266,
CTPYSIBFHAXDIM-UHFFFAOYSA-N,
ZINC70821402,
AKOS012576311,
MCULE-3859067071,
NE16276,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.090212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.2g/mol |
| Monoisotopic Mass | 177.090212g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number