Azepane-2,4-dione - CAS 29520-88-5

Catalog:	BB020227
Product Name:	Azepane-2,4-dione
CAS:	29520-88-5
Synonyms:	azepane-2,4-dione; azepane-2,4-dione

Technical Data

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Computed Properties

IUPAC Name:	azepane-2,4-dione
Description:	Azepane-2,4-dione (CAS# 29520-88-5) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	C1CC(=O)CC(=O)NC1
InChI:	InChI=1S/C6H9NO2/c8-5-2-1-3-7-6(9)4-5/h1-4H2,(H,7,9)
InChI Key:	IRSLHFZTRANCOL-UHFFFAOYSA-N
LogP:	0.18440

Publication Number	Title	Priority Date
JP-2021119130-A	A drug consisting of a fused lactam derivative	20200129
US-2020172543-A1	Condensed lactam derivative	20180723
WO-2020022237-A1	Fused ring lactam derivatives	20180723
US-10745401-B2	Condensed lactam derivative	20180723
US-2020255432-A1	Condensed lactam derivative	20180723

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.06332853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5