| CAS Number | 1486520-08-4 |
| Catalog Number | AG01BEU4 |
| Chemical Name | 2-benzyl-decahydrocyclohepta[c]pyrrol-4-one |
| IUPAC Name | 2-benzyl-1,3,3a,5,6,7,8,8a-octahydrocyclohepta[c]pyrrol-4-one |
| InChI | InChI=1S/C16H21NO/c18-16-9-5-4-8-14-11-17(12-15(14)16)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2 |
| InChI Key | HUVMTUHDOBCRJI-UHFFFAOYSA-N |
| MDL Number | MFCD28118436 |
| Molecular Formula | C16H21NO |
| Molecular Weight | 243.3440 |
| SMILES | O=C1C2C(CN(C2)CC2=CC=CC=C2)CCCC1 |
| Synonyms | 2-benzyl-decahydrocyclohepta[c]pyrrol-4-one,
1486520-08-4,
AKOS033648975,
Z1889909715,
2-benzyl-hexahydrocyclohepta[c]pyrrol-4(1H,2H,5H)-one,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.35g/mol |
| Monoisotopic Mass | 243.162g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number