4-Boc-7-oxo-4-azaspiro[2.4]heptane-6-carbonitrile - CAS 718632-43-0
Catalog: |
BB034487 |
Product Name: |
4-Boc-7-oxo-4-azaspiro[2.4]heptane-6-carbonitrile |
CAS: |
718632-43-0 |
Synonyms: |
6-cyano-7-oxo-4-azaspiro[2.4]heptane-4-carboxylic acid tert-butyl ester; tert-butyl 6-cyano-7-oxo-4-azaspiro[2.4]heptane-4-carboxylate |
IUPAC Name: | tert-butyl 6-cyano-7-oxo-4-azaspiro[2.4]heptane-4-carboxylate |
Description: | 4-Boc-7-oxo-4-azaspiro[2.4]heptane-6-carbonitrile (CAS# 718632-43-0) is a useful research chemical. |
Molecular Weight: | 236.27 |
Molecular Formula: | C12H16N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(=O)C12CC2)C#N |
InChI: | InChI=1S/C12H16N2O3/c1-11(2,3)17-10(16)14-7-8(6-13)9(15)12(14)4-5-12/h8H,4-5,7H2,1-3H3 |
InChI Key: | DNIYOGZTRAUIBF-UHFFFAOYSA-N |
LogP: | 1.41648 |
Publication Number | Title | Priority Date |
WO-2016105528-A2 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20141223 |
US-2021115051-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20141223 |
AU-2003300255-A1 | Substituted pyrrolo-pyrazole derivatives as kinase inhibitors | 20021219 |
AU-2003300255-B2 | Substituted pyrrolo-pyrazole derivatives as kinase inhibitors | 20021219 |
AU-2003300255-B9 | Substituted pyrrolo-pyrazole derivatives as kinase inhibitors | 20021219 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.11609238 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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