4-Oxo-1-(m-tolyl)cyclohexanecarbonitrile - CAS 73312-15-9

Catalog:	BB034818
Product Name:	4-Oxo-1-(m-tolyl)cyclohexanecarbonitrile
CAS:	73312-15-9
Synonyms:	1-(3-methylphenyl)-4-oxo-1-cyclohexanecarbonitrile; 1-(3-methylphenyl)-4-oxocyclohexane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-methylphenyl)-4-oxocyclohexane-1-carbonitrile
Description:	4-Oxo-1-(m-tolyl)cyclohexanecarbonitrile (CAS# 73312-15-9 ) is a useful research chemical.
Molecular Weight:	213.28
Molecular Formula:	C14H15NO
Canonical SMILES:	CC1=CC=CC(=C1)C2(CCC(=O)CC2)C#N
InChI:	InChI=1S/C14H15NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9H,5-8H2,1H3
InChI Key:	RDCYDXANZMCSCF-UHFFFAOYSA-N
LogP:	2.89948

Publication Number	Title	Priority Date
EP-3526207-B1	Heterocyclic compounds having activity as modulators of muscarinic m1 and/or m4 receptors in the treatment of cns diseases and pains.	20161014
AU-2007338365-A1	1-Aminomethyl- l- phenyl- cyclohexane derivatives as DDP-IV inhibitors	20061222
EP-2124913-A1	1-aminomethyl- l- phenyl- cyclohexane derivatives as ddp-iv inhibitors	20061222
JP-2010513357-A	1-aminomethyl-1-phenyl-cyclohexane derivatives as DPP-IV inhibitors	20061222
KR-20090096636-A	1-aminomethyl-L-phenyl-cyclohexane derivative as a DVD-IV inhibitor	20061222

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.115364102
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2