Azepane-2,3-dione

CAT: 0127-OR52235Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR52235Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

37840-08-7

MDL Number

MFCD19216914

Purity

=95%

Smiles

O=C1CCCCNC1=O

Chemical Information

Azepane-2,3-dione

CAS Number	37840-08-7
PubChem CID	12210550
IUPAC Name	azepane-2,3-dione
Molecular Formula	C6H9NO2
Molecular Weight	127.14
XLogP	-0.2
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	142

SMILES

C1CCNC(=O)C(=O)C1

InChI

InChI=1S/C6H9NO2/c8-5-3-1-2-4-7-6(5)9/h1-4H2,(H,7,9)

InChIKey

BBRKLPKNNGAWLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37840-08-7

CID: 12210550

Formula: C6H9NO2

MW: 127.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.14
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.063328530
Monoisotopic Mass	127.063328530
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	142
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
OR70222	Azepane-2,7-dione
OR1037399-01	Azepane-2,4-dione
OR1068120-01	Azepane-2,5-dione
OR903599	2- (3-Methylphenyl) azepane
PC901191	2- (3-Fluorophenyl) azepane
OR1021338	3- (2-Methoxyethyl) azepane
OR1074808-01	(S) -3- (4-Methyl-1-oxoisoindolin-2-yl) azepane-2,7-dione
OR1063168-01	Azepane-2-thione
OR902479-01	2- (2-Methylpropyl) azepane
OR906041	2- (1-Piperidinylmethyl) azepane