| CAS Number | 930-92-7 |
| Catalog Number | AG00J27N(AGN-PC-00OOKW) |
| Chemical Name | 3-Ethyl-2-pyrrolidinone |
| IUPAC Name | 3-ethylpyrrolidin-2-one |
| InChI | InChI=1S/C6H11NO/c1-2-5-3-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8) |
| InChI Key | ZRBMHTFPJMSUDJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917012 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | C1(C(CC)CCN1)=O |
| Synonyms | 3-ethyl-2-pyrrolidinone,
3-ethylpyrrolidin-2-one,
930-92-7,
3-Ethyl-2-pyrrolizinone,
CHEMBL57505,
SCHEMBL797571,
MFCD18917012,
3-Ethyl-2-pyrrolidinone, AldrichCPR,
AKOS006352133,
Y-7991,
Z2235681428,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number