N-Boc-5-azaspiro[3.5]nonan-8-one - CAS 778646-92-7

Catalog:	BB036059
Product Name:	N-Boc-5-azaspiro[3.5]nonan-8-one
CAS:	778646-92-7
Synonyms:	8-oxo-5-azaspiro[3.5]nonane-5-carboxylic acid tert-butyl ester; tert-butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
Description:	N-Boc-5-azaspiro[3.5]nonan-8-one (CAS# 778646-92-7) is a useful research chemical.
Molecular Weight:	239.31
Molecular Formula:	C13H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)CC12CCC2
InChI:	InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-5-10(15)9-13(14)6-4-7-13/h4-9H2,1-3H3
InChI Key:	ASCBSGNUAQKGNU-UHFFFAOYSA-N
LogP:	2.44700

Publication Number	Title	Priority Date
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
CA-3066193-A1	Heterocyclylmethylidene derivatives and their use as modulators of mglur5 receptors	20170629
EP-3645521-A1	HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS	20170629
KR-20200023370-A	Heterocyclylmethylidene Derivatives and Uses thereof as Modulators of mGluR5 Receptors	20170629
WO-2019002571-A1	HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS	20170629

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.15214353
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3