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
    3.4142    0.2019   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7508   -0.0387    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107   -0.1181    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.3523    1.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678    0.0582   -0.2317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671   -0.0174   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.2242   -1.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972   -1.3190    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5145    1.0745    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106    0.2536   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    0.3576   -1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -0.1869    1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279    0.2527   -1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1383   -0.6503   -2.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831    0.2162   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    1.1280   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015   -1.6320   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -2.1655    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837   -1.2413    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385    0.7405    1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6152    1.1750    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    2.0390    0.5862 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