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
    3.8041    0.2614    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821   -0.1164    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890    0.0798    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666    0.6192   -1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -0.3228    0.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0535   -0.0925   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.3941   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1129   -0.8980   -1.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598   -0.5192    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7351    0.0997    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7876    0.7311   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976   -0.5797    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.7612    1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562    1.6791   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3428    1.6281   -0.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    1.9695    0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0637   -1.9668   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.6112   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471   -0.7336   -1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1540   -0.2872    0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291    0.0450    1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388   -1.6183    1.0099 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