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
    3.7118   -0.7762   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161   -0.2138   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.2800   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580   -0.8649    0.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827    0.3232   -0.7639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228    0.2438   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.2155   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    0.8630    1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    0.9410   -1.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277   -0.7360   -0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -1.2995    0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    0.2966   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855    0.8283   -1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -1.7911   -0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -1.5924    0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -1.1920    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002    0.1892    1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019    0.9712    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993    1.8948    1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110    0.6523   -2.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764    0.7210   -0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    2.0371   -0.9126 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