Ethyl (E)-3-Morpholinoacrylate - CAS 81239-01-2

Catalog:	BB036634
Product Name:	Ethyl (E)-3-Morpholinoacrylate
CAS:	81239-01-2
Synonyms:	3-(4-morpholinyl)-2-propenoic acid ethyl ester; ethyl 3-morpholin-4-ylprop-2-enoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl (E)-3-morpholin-4-ylprop-2-enoate
Description:	Ethyl (E)-3-Morpholinoacrylate (CAS# 81239-01-2 ) is a useful research chemical.
Molecular Weight:	185.22
Molecular Formula:	C9H15NO3
Canonical SMILES:	CCOC(=O)C=CN1CCOCC1
InChI:	InChI=1S/C9H15NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h3-4H,2,5-8H2,1H3
InChI Key:	DZTFOBJTWGCIFC-UHFFFAOYSA-N
LogP:	0.33330

Publication Number	Title	Priority Date
WO-2021004535-A1	Cinnolines as inhibitors of hpk 1	20190711
EP-2859009-B1	Macrocyclic inhibitors of flaviviridae viruses	20120608
EP-2861604-B1	Macrocyclic inhibitors of flaviviridae viruses	20120608
US-10246486-B2	Macrocyclic inhibitors of flaviviridae viruses	20120608
US-2014030221-A1	Macrocyclic inhibitors of flaviviridae viruses	20120608

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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
[87-88-7]
Chloranilic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	185.10519334
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5