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3,3-Dimethyl-1-oxoisoindoline-5-carbonitrile

3,3-Dimethyl-1-oxoisoindoline-5-carbonitrile - CAS 1440519-98-1

Catalog:	BB009716
Product Name:	3,3-Dimethyl-1-oxoisoindoline-5-carbonitrile
CAS:	1440519-98-1
Synonyms:	3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile; 3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3-dimethyl-1-oxo-2H-isoindole-5-carbonitrile
Description:	3,3-Dimethyl-1-oxoisoindoline-5-carbonitrile (CAS# 1440519-98-1 ) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C11H10N2O
Canonical SMILES:	CC1(C2=C(C=CC(=C2)C#N)C(=O)N1)C
InChI:	InChI=1S/C11H10N2O/c1-11(2)9-5-7(6-12)3-4-8(9)10(14)13-11/h3-5H,1-2H3,(H,13,14)
InChI Key:	ODITXVOCXCXIOY-UHFFFAOYSA-N
LogP:	1.86558

Publication Number	Title	Priority Date
AU-2015330141-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
AU-2015330141-B2	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
CA-2962122-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
CN-106852142-A	As the spiral shell diamine derivative of aldosterone synthase inhibitors	20141008
EP-3204383-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.079312947
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1