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
    3.7844    0.4317   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -0.3640   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184    0.1790   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    1.3656   -0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2804   -0.6255    0.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.1351    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    0.3869   -1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2811    0.9514    1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -1.2749    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    0.0810   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6546    1.4748   -0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915   -1.3896    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5054   -1.6279    0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307    0.7599   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262   -0.4258   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895    1.2400   -1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    1.5142    1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    1.6141    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    0.4254    2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9535   -0.7984    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -1.9332   -0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081   -1.8496    1.3277 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