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
    3.3802    0.0877   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6914    0.2069    0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.1834    0.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197    0.2987    2.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    0.0249   -0.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499   -0.0030   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    1.1843    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658   -1.2443    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156   -0.2154   -1.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253   -0.0379   -1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    0.1091   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065    0.3306    1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9433   -0.0764   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    0.8945    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    1.6411    1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425    1.9901   -0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794   -0.9428    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057   -1.7666    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -1.9732   -0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -1.0456   -2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645    0.7321   -2.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106   -0.3780   -1.6105 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