| CAS Number | 5291-26-9 |
| Catalog Number | AG01A0EM(AGN-PC-0JP09T) |
| Chemical Name | 2-Methylenequinuclidin-3-One |
| EC Number | 227-413-0 |
| IUPAC Name | 2-methylidene-1-azabicyclo[2.2.2]octan-3-one |
| InChI | InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2 |
| InChI Key | NHPWIWAGVOXDPU-UHFFFAOYSA-N |
| MDL Number | MFCD00204098 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | C=C1C(=O)C2CCN1CC2 |
| Synonyms | 2-methylenequinuclidin-3-one,
5291-26-9,
2-methylidene-1-azabicyclo[2.2.2]octan-3-one,
2-Methylene-3-quinuclidinone,
5832-54-2,
2-Methylenequinuclidin-3-one HCl,
EINECS 227-413-0,
2-Methylenequinuclidin-3-one hydrochloride,
2-methylenequinuclidin3-one,
AC1L87LI,
2-methylene-3-oxoquinuclidine,
SCHEMBL1900903,
NHPWIWAGVOXDPU-UHFFFAOYSA-N,
ZINC155189,
MFCD00204098,
AKOS015868356,
MCULE-9846639440,
2-methylene-1-aza-bicyclo[2.2.2]octan-3-one,
C8-H11-N-O.Cl-H,
NSC93806,
CID322973,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number