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
    3.6566    0.3456   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886    0.0045    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155    0.1176   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    0.5406   -1.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -0.2402    0.7295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1028   -0.0950    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646    1.3655   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280   -1.0143   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -0.5190    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7007    0.2787   -0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4334    0.7033   -1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.3558    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921   -0.5877    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    1.5570   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5147    2.0031    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594    1.6843    0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247   -0.5811   -1.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -1.9433   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -1.3466   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    0.0585    2.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128   -1.5884    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112   -0.3874    0.8287 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