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
    3.7322   -0.5037   -0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289   -0.9386    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -0.1751   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233    0.9015   -0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -0.5953    0.4655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    0.1243    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0012    1.5026    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701    0.2810   -1.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -0.6334    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372   -1.0721   -0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740    0.4241   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232   -1.8566    0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953   -1.4932    0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5774    1.4344    1.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    2.2482    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    1.8334    1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.5764   -1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9253    1.1958   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4702    0.3581   -1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669   -1.3846    1.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592   -1.1017    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446    0.0273    1.5911 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