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
    3.8223   -0.2803    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    0.4293    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010   -0.1416    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -1.3361   -0.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    0.6537    0.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    0.1121    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -0.3694   -1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1009    1.1760    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -1.0429    1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579   -1.3139   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7980    0.1272    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394    1.4637    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    1.6391    0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622   -1.1911   -1.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1881    0.4598   -2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722   -0.7669   -1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628    1.9994   -0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.6464    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749    1.5175    1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651   -1.9732    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288   -0.6830    2.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -1.1256    1.1850 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