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
    3.7476   -0.7267    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.7073    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722   -0.2608    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048    0.1015   -0.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -0.2330    0.9268 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.2042    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101    1.6329   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -0.7495   -0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    0.1838    1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103   -1.0533    1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747   -0.4186   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -1.0235    2.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108   -0.5323    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9123    2.1256   -0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    2.2080    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    1.6208   -1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -1.2433   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.2402   -1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963   -1.5612   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    1.0207    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -0.7897    1.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593    0.4417    0.4470 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