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
    3.3939    0.0833    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -0.5310   -0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -0.5708   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -1.1545   -1.6932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633    0.0643    0.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    0.0271    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    0.6800   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916    0.9691    1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -1.2517    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    0.0910    0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028    0.6212    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.0295   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928    0.5840    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -0.0494   -2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220    1.1866   -1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026    1.5102   -1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982    0.6240    1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459    0.9431    2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    2.0226    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993   -1.5609    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -2.1236   -0.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6763   -1.1352   -0.1842 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