2-Methylenequinuclidin-3-one - CAS 5291-26-9
Catalog: |
BB063696 |
Product Name: |
2-Methylenequinuclidin-3-one |
CAS: |
5291-26-9 |
Synonyms: |
2-Methylene-1-azabicyclo[2.2.2]octan-3-one; 2-Methylene-3-quinuclidone; 2-Methylenequinuclidin-3-one |
IUPAC Name: | 2-methylidene-1-azabicyclo[2.2.2]octan-3-one |
Description: | 2-Methylenequinuclidin-3-one is used in the preparation of other bioactive chemical compounds. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | C=C1C(=O)C2CCN1CC2 |
InChI: | InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2 |
InChI Key: | NHPWIWAGVOXDPU-UHFFFAOYSA-N |
References: | Ceder, S., et al. EMBO Mol. Med., 13, 10852 (2021). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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