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
    3.8059   -0.5130   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    0.3064   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -0.2419   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -1.4771    0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822    0.6179   -0.0729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0740    0.1331    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -0.8102   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3866   -0.5098    1.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893    1.3296   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133   -0.1071   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898   -1.5630    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200    1.3734   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    1.6404   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -0.6072   -2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -0.7011   -1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769   -1.8337   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067   -0.4896    1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895    0.1155    2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.5714    1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0505    1.0726    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284    2.1326    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8482    1.7035   -1.1978 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