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
    3.3897    0.2138   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    0.0350    1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515   -0.0768    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024   -0.2463    2.2013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592    0.0074   -0.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.0900   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    1.0403    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -1.4006    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    0.1829   -1.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4592    0.2836   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253    0.2960   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -0.0345    1.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521    0.1484   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    1.1079    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082    1.9764    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    0.8628    1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494   -1.2622    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7484   -2.2094    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3388   -1.7237   -0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524    0.1157   -1.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938    1.2388   -1.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733   -0.4654   -2.2455 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