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
    3.3700    0.1917   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037    0.3248    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3526    0.2354    0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    0.3690    1.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494    0.0024   -0.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -0.0733   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    1.1983    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922   -1.1747    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468   -0.4045   -1.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.0120   -1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    0.2714   -0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    0.5099    1.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961   -0.1191   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0538    2.0596   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061    1.2313    0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425    1.2106    1.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293   -0.7661    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951   -1.9347    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -1.7250    0.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5712   -1.4312   -1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249   -0.3411   -1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376    0.3532   -2.1835 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