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
    3.2708    0.9175   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396   -0.3246   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6156   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -1.8173   -0.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    0.3672   -0.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -0.0114    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399   -0.8855   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    1.2439    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -0.7570    1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    1.7901   -0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    1.0957   -0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338   -1.1462   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938    1.3649   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032   -0.5474   -1.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -1.9516   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5228   -0.6868   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863    1.0795    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720    1.6263   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    1.9954    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087   -1.7549    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -0.8755    1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -0.1068    2.2370 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