| CAS Number | 1225218-51-8 |
| Catalog Number | AG01AFYO |
| Chemical Name | 4-Methyl-4-(pyridin-3-yl)pyrrolidin-2-one |
| IUPAC Name | 4-methyl-4-pyridin-3-ylpyrrolidin-2-one |
| InChI | InChI=1S/C10H12N2O/c1-10(5-9(13)12-7-10)8-3-2-4-11-6-8/h2-4,6H,5,7H2,1H3,(H,12,13) |
| InChI Key | CUXMYWUQQWOOKD-UHFFFAOYSA-N |
| MDL Number | MFCD20483044 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CC1(CC(NC1)=O)C=1C=NC=CC1 |
| Synonyms | 4-methyl-4-(pyridin-3-yl)pyrrolidin-2-one,
1225218-51-8,
SCHEMBL2283567,
AKOS015452188,
NE33416,
DA-14126,
FT-0705964,
|
| Complexity | 217 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number