1-nitrosopiperidin-4-one

CAT: 1299-RG-E140736-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140736-01Size:10 mg

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CAS Number

55556-91-7

Synonyms

1-nitrosopiperidin-4-one

Molecular Formula

C5H8N2O2

Molecular Weight

128.13

Product Name Synonym

1-nitrosopiperidin-4-one

Chemical Information

1-Nitroso-4-piperidone

CAS Number	55556-91-7
PubChem CID	41469
IUPAC Name	1-nitrosopiperidin-4-one
Molecular Formula	C5H8N2O2
Molecular Weight	128.13
XLogP	-0.5
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	125

SMILES

C1CN(CCC1=O)N=O

InChI

InChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1-4H2

InChIKey

ADLADNOVIJYIMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55556-91-7

CID: 41469

Formula: C5H8N2O2

MW: 128.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.13
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	128.058577502
Monoisotopic Mass	128.058577502
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A261198-01	1-Nitrosopiperidin-3-Ol
RG-E140499-01	(R) -1-nitrosopiperidin-3-amine
RG-P022743-01	4-Chloro-1-Nitrosopiperidine
RG-C081526-01	4-Chloro-1- (4-Fluorophenyl) Butan-1-One
RG-E242615-01	2- (4-nitrosopiperazin-1-yl) ethan-1-amine
RG-B040003-01	1- (4-Bromophenyl) Ethan-1-One
RG-P022578-01	1- (4-Butylphenyl) Ethan-1-One
RG-A261489-01	1- (4-Methoxyphenyl) Ethan-1-One
RG-A263185-01	1- (4-Ethylphenyl) Ethan-1-One
RG-A263568-01	1- (4-Aminophenyl) Propan-1-One

Catalog	Name
TRC-N838340-500MG	1-Nitrosopiperidin-4-yl)diphenylmethanol
AR-B05568-01	Bilastine 1-nitrosopiperidin-4-yl Impurity
CS-O-45597	N,4-dimethyl-1-nitrosopiperidin-3-amine
CS-BX-02966	N- (2-fluorophenyl) -1-nitrosopiperidin-4-amine
CS-O-60283	4- (1-nitrosopiperidin-4-yl) morpholine-5-N-oxide
TRC-M399820-100MG	N-(4-(Methoxymethyl)-1-nitrosopiperidin-4-yl)-N-phenylpropionamide
CS-O-54299	1- (1-nitrosopiperidin-4-yl) -1H-imidazo[4,5-b]pyridin-2 (3H) -one
CS-O-41257	(1-nitrosopiperidin-2-yl) methanol
TRC-N900802-250MG	(S)-1-Nitrosopiperidin-3-ol-d4
CS-O-47212	N- (1-nitrosopiperidin-3-yl) acetamide