| CAS Number | 1247538-59-5 |
| Catalog Number | AG01DV3H |
| Chemical Name | 3-Amino-1-(3-methylphenyl)pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-(3-methylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)13-6-5-10(12)11(13)14/h2-4,7,10H,5-6,12H2,1H3 |
| InChI Key | OYVFLQGUKMSDDR-UHFFFAOYSA-N |
| MDL Number | MFCD14689657 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CC1=CC(N2C(=O)C(N)CC2)=CC=C1 |
| Synonyms | 3-amino-1-(3-methylphenyl)pyrrolidin-2-one,
1247538-59-5,
SCHEMBL14275593,
AKOS010811461,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number