Cyclobutan-1-one oxime

CAT: 0127-OR30375Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2972-05-6

MDL Number

MFCD00114552

Smiles

ON=C1CCC1

Chemical Information

Cyclobutanone oxime

CAS Number	2972-05-6
PubChem CID	546078
IUPAC Name	N-cyclobutylidenehydroxylamine
Molecular Formula	C4H7NO
Molecular Weight	85.10
XLogP	0.3
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	71

SMILES

C1CC(=NO)C1

InChI

InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2

InChIKey

YDYCXDWUKJSHMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2972-05-6

CID: 546078

Formula: C4H7NO

MW: 85.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	85.10
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	85.052763847
Monoisotopic Mass	85.052763847
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	71.6
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
OR922566-01	2- (Hydroxymethyl) cyclobutan-1-one
OR948551-01	3- (Chloromethyl) cyclobutan-1-one
OR948453-01	2- (Benzyloxy) cyclobutan-1-one
OR301159-01	3- (Benzyloxy) cyclobutan-1-one
OR308103-01	3- (Hydroxymethyl) cyclobutan-1-one
OR1036478-01	3- (4-Methoxyphenyl) cyclobutan-1-one
PC109893	2- (4-Fluorophenyl) cyclobutan-1-one
OR1070349-01	2- (2-Chloroethyl) cyclobutan-1-one
OR78184-01	3- (2-Methoxyphenyl) cyclobutan-1-one
OR1021377	3- (tert-Butoxy) cyclobutan-1-one

Catalog	Name
270212-01	Cyclopentan-1-one oxime
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sc-334006	1-isobutyrylpiperidin-4-one oxime
sc-339235	(1E) -indan-1-one oxime
sc-333962A	1-ethylpiperidin-4-one oxime
BAA51527	1-Methylpiperidin-4-one oxime
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sc-339234A	Hexahydroindolizin-1 (5H) -one oxime
sc-333916	1-cyclopropylpiperidin-4-one oxime
D665305	1,1-Diethoxypropan-2-one Oxime