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
    3.6916    0.6818   -0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -0.0250   -0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    0.2787   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    1.2081    0.6216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016   -0.5065   -0.4643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459   -0.2189    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -1.2106   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    1.1581   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.2979    1.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    0.4433   -1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920    1.4994    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530   -0.8245   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -1.2904   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431   -1.3593   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070   -0.7782   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968   -2.1829    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    1.9518   -0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5376    1.3492    0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.0511   -1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847   -1.2286    2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3935    0.6048    2.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291   -0.3035    2.0710 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