1-(1,3-Benzodioxol-5-yl)cyclobutanecarbonitrile - CAS 405090-49-5
Catalog: |
BB024542 |
Product Name: |
1-(1,3-Benzodioxol-5-yl)cyclobutanecarbonitrile |
CAS: |
405090-49-5 |
Synonyms: |
1-(1,3-benzodioxol-5-yl)-1-cyclobutanecarbonitrile; 1-(1,3-benzodioxol-5-yl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(1,3-benzodioxol-5-yl)cyclobutane-1-carbonitrile |
Description: | 1-(1,3-Benzodioxol-5-yl)cyclobutanecarbonitrile (CAS# 405090-49-5 ) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | C1CC(C1)(C#N)C2=CC3=C(C=C2)OCO3 |
InChI: | InChI=1S/C12H11NO2/c13-7-12(4-1-5-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6H,1,4-5,8H2 |
InChI Key: | SRMXCMRSQZVCOE-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
EP-3362445-A1 | Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20151012 |
JP-2018530571-A | Oxadiazoleamine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 20151012 |
JP-6697074-B2 | Oxadiazole amine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 20151012 |
KR-101839137-B1 | Oxadiazole Amine Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20151012 |
KR-20170043091-A | Oxadiazole Amine Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20151012 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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