| CAS Number | 1428233-96-8 |
| Catalog Number | AG00J2WP(AGN-PC-0WB667) |
| Chemical Name | 4-cyclohexyl-2-pyrrolidinone |
| IUPAC Name | 4-cyclohexylpyrrolidin-2-one |
| InChI | InChI=1S/C10H17NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12) |
| InChI Key | PWSUQCRPENFXDF-UHFFFAOYSA-N |
| MDL Number | MFCD21691531 |
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.2481 |
| SMILES | C1(CCCCC1)C1CC(NC1)=O |
| Synonyms | 4-cyclohexylpyrrolidin-2-one,
1428233-96-8,
4-cyclohexyl-2-pyrrolidinone,
SCHEMBL2380603,
2-pyrrolidinone, 4-cyclohexyl-,
ALBB-027679,
MFCD21691531,
AKOS015451758,
AS-44132,
A-6943,
F2147-1337,
Z2719320137,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.252g/mol |
| Monoisotopic Mass | 167.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number