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
    1.1127   -0.4389    3.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    0.3057    2.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4195   -0.1677    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -1.2741    1.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    0.5964    0.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918    0.1309   -1.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7664   -0.1156   -0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -1.1210   -1.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1885    1.2101   -2.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.1281    4.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067   -1.4047    3.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185    1.2519    2.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    1.5155    0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116   -0.2564   -1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013    0.8106   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788   -0.9975   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -1.9793   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160   -1.1687   -2.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530   -1.2917   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    1.3417   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205    2.1879   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    0.9931   -2.9614 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