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
    3.7594   -0.3679    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080   -0.2330    0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977   -0.1294    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029   -0.1750   -1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1149    0.0198    0.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739    0.1204   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    1.3061   -1.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783    0.2950    0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2859   -1.1777   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.4020   -0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916   -0.4493    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -0.1978    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0847    0.0511    1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494    2.1824   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940    1.1373   -1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014    1.6109   -1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1760   -0.1843    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852    1.3595    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -0.2930    1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685   -1.0008   -1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -1.9277   -0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -1.5448   -1.3384 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