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
    3.7912    0.1224   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    0.4313    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    0.0520   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961   -0.5995   -1.1188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563    0.3755    0.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -0.0296    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001    0.5951   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611    0.4645    0.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238   -1.5388   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711   -0.4320   -1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7574    0.3952    0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093    0.9802    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    0.9002    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -0.2070   -2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711    1.1259   -1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    1.3535   -1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.9323    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726   -0.3655    1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658    1.1970    1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951   -1.9649    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177   -1.8969    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917   -1.8909   -1.0543 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