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
    3.4519   -0.2078   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    0.7630    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176    0.7939    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822    1.7803    0.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4575   -0.2093   -0.3091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9731   -0.1594   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -0.1146    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -1.4039   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677    1.0153   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266   -0.2268   -0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150   -1.0383   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599    1.5756    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9017   -1.0225   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988   -1.1094    1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005    0.1616    1.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2239    0.6221    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680   -1.2221   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -2.2570   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -1.6867   -1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511    1.4856   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    0.7017   -1.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    1.7586   -1.2314 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