1-Boc-2-vinyl-4-piperidinone - CAS 796112-47-5

Catalog:	BB036385
Product Name:	1-Boc-2-vinyl-4-piperidinone
CAS:	796112-47-5
Synonyms:	2-ethenyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 2-ethenyl-4-oxopiperidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-ethenyl-4-oxopiperidine-1-carboxylate
Description:	1-Boc-2-vinyl-4-piperidinone (CAS# 796112-47-5 ) is a useful research chemical.
Molecular Weight:	225.28
Molecular Formula:	C12H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)CC1C=C
InChI:	InChI=1S/C12H19NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h5,9H,1,6-8H2,2-4H3
InChI Key:	RYOAUCXCMVLSET-UHFFFAOYSA-N
LogP:	2.07890

Publication Number	Title	Priority Date
WO-2020243135-A1	Fused heterocyclic derivatives	20190528
AU-2017286890-A1	Oxadiazepinone derivatives and their use in the treatment of hepatitis b infections	20160629
CA-3029688-A1	Oxadiazepinone derivatives and their use in the treatment of hepatitis b infections	20160629
CN-109843892-A	Dislike diazepine ketone derivatives and its purposes in treatment hepatitis B infection	20160629
EP-3478692-A1	Oxadiazepinone derivatives and their use in the treatment of hepatitis b infections	20160629

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Related Functional Groups

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Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.13649347
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2