4,4-Dimethyl-2,6-Piperidinedione

CAS: 1123-40-6 | C7H11NO2

2D Structure

Loading 3D structure...

CAS Registry Number

1123-40-6

SMILES

CC1(C)CC(=O)N=C(O)C1

InChI Key

YUJCWMGBRDBPDL-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)

Comprehensive physical and chemical properties

Property	Value	Source
Melting Point	145-146 °C	CAS Common Chemistry
Name	4,4-Dimethyl-2,6-piperidinedione	CAS Common Chemistry
Molecular Mass	141.17 g/mol	CAS Common Chemistry
Canonical SMILES	O=C1NC(=O)CC(C)(C)C1	CAS Common Chemistry
InChI	InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)	CAS Common Chemistry
InChI Key	InChIKey=YUJCWMGBRDBPDL-UHFFFAOYSA-N	CAS Common Chemistry
Heavy Atom Count	10	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	49.66 Å²	RDKit
LogP	1.2895	RDKit
	1.19	chempirical lib
Molar Refractivity	38.0858 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.7143	RDKit
	0.71	chempirical lib
Exact Mass	141.078978592 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C7H11NO2.