2-Methylmorpholin-3-one - CAS 13882-80-9

Catalog:	BB008851
Product Name:	2-Methylmorpholin-3-one
CAS:	13882-80-9
Synonyms:	2-methyl-3-morpholinone; 2-methylmorpholin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methylmorpholin-3-one
Description:	2-Methylmorpholin-3-one (CAS# 13882-80-9) is a useful research chemical.
Molecular Weight:	115.13
Molecular Formula:	C5H9NO2
Canonical SMILES:	CC1C(=O)NCCO1
InChI:	InChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChI Key:	LEGKNUIZNFTVBI-UHFFFAOYSA-N
LogP:	-0.20280

Publication Number	Title	Priority Date
CN-105593232-A	Benzoxazoleoxazine ketone compound as blood coagulation factor Xa inhibitor	20130929
CN-105593232-B	Benzoxazoles and oxazines ketone compounds as coagulation factor xa inhibitors	20130929
WO-2015043364-A1	Benzoxazoleoxazine ketone compound as blood coagulation factor xa inhibitor	20130929
CN-104395312-A	Substituted azabicycles and use thereof	20130621
CN-104395312-B	The Spirocyclic derivatives of 4,5-dihydro-pyrazolo [3,4-c] pyridin-2-ones, its preparation method and application	20130621

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.06332853
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4