Monomers

N-Tert-butylacrylamide

Identifiers

IUPAC name
N-tert-butylprop-2-enamide
InchI
InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InchI Key
XFHJDMUEHUHAJW-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(C)(C)C
Canonical SMILES
CC(C)(C)NC(=O)C=C
Isomeric SMILES
CC(C)(C)NC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO
Heavy Atom Count
9
Molecular Weight
127.187
Exact Molecular Weight
127.0997
Valence Electrons
52
Radical Electrons
0
tPSA
29.1
MolLogP
1.0871
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.4164   -0.3547    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7269    0.1364   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    0.2570   -0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7486    0.7578   -1.9028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.1490    0.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9371   -0.0038    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6087   -0.5003    1.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287   -0.8577   -0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    1.4437    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863   -0.4135    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -0.7050    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024    0.4667   -1.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -0.5514    1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406   -0.1820    2.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712   -1.6001    1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6108   -0.0208    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139   -1.8819   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796   -0.4036   -1.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388   -0.8317   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579    2.0682   -0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871    1.4434   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5790    1.8824    1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers