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
    3.3293    0.6975   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -0.3383    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445   -0.5853    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278   -1.5980    0.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    0.2316   -0.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776   -0.0007   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230    0.0134    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572    1.1043   -0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -1.2940   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980    0.8637   -0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    1.4380   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922   -1.0117    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7303    1.0635   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404   -0.8007    1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.9780    1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -0.0502    1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2836    1.3709   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8013    1.9688   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7922    0.7304   -0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658   -2.1715   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602   -1.3950   -1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655   -1.2145   -0.8385 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