3,8-Dioxa-1-azaspiro[4.5]decane-2,4-dione - CAS 39974-68-0

Catalog:	BB024232
Product Name:	3,8-Dioxa-1-azaspiro[4.5]decane-2,4-dione
CAS:	39974-68-0
Synonyms:	3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione; 3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione
Description:	3,8-Dioxa-1-azaspiro[4.5]decane-2,4-dione (CAS# 39974-68-0 ) is a useful research chemical.
Molecular Weight:	171.15
Molecular Formula:	C7H9NO4
Canonical SMILES:	C1COCCC12C(=O)OC(=O)N2
InChI:	InChI=1S/C7H9NO4/c9-5-7(8-6(10)12-5)1-3-11-4-2-7/h1-4H2,(H,8,10)
InChI Key:	DSFJJABYHBJIMB-UHFFFAOYSA-N
LogP:	0.13080

Publication Number	Title	Priority Date
WO-2019168866-A1	Substituted cyclohexyl compounds as nop inhibitors	20180228
AU-2019229188-A1	Substituted cyclohexyl compounds as NOP inhibitors	20180228
CN-112105605-A	Substituted cyclohexyl compounds as NOP inhibitors	20180228
EP-3759085-A1	Substituted cyclohexyl compounds as nop inhibitors	20180228
KR-20200140810-A	Substituted cyclohexyl compounds as NOP inhibitors	20180228

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Carbonyl Compounds

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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.05315777
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.05315777
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3