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1-(1,3-Benzodioxol-5-yl)cyclobutanecarbonitrile

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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

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[55877-31-1]
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[618-40-6]
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[78056-67-4]
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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