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

1-(1,3-Benzodioxol-5-yl)cyclopropanecarbonitrile - CAS 33522-14-4

Catalog:	BB021752
Product Name:	1-(1,3-Benzodioxol-5-yl)cyclopropanecarbonitrile
CAS:	33522-14-4
Synonyms:	1-(1,3-benzodioxol-5-yl)-1-cyclopropanecarbonitrile; 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
Description:	1-(1,3-Benzodioxol-5-yl)cyclopropanecarbonitrile (CAS# 33522-14-4) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	C1CC1(C#N)C2=CC3=C(C=C2)OCO3
InChI:	InChI=1S/C11H9NO2/c12-6-11(3-4-11)8-1-2-9-10(5-8)14-7-13-9/h1-2,5H,3-4,7H2
InChI Key:	VWWFPPDVEFZZCF-UHFFFAOYSA-N
Boiling Point:	347.046 °C at 760 mmHg
Density:	1.331 g/cm³
LogP:	1.97048

Publication Number	Title	Priority Date
US-2009246137-A1	Pyridyl derivatives as cftr modulators	20080331
US-2012270869-A1	Pyridyl derivatives as cftr modulators	20080331
US-8227615-B2	Pyridyl derivatives as CFTR modulators	20080331
US-8524910-B2	Pyridyl derivatives as CFTR modulators	20080331
US-8889875-B2	Pyridyl derivatives as CFTR modulators	20080331

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.06332853
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9