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
    3.4484   -0.3177   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -0.4483    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1939   -0.3038    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4420   -0.4409    1.8264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -0.0065   -0.4041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.1200   -0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4146    1.2247    0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297    0.5255   -1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6538   -1.1491   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209   -0.4209   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.0915   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -0.6756    1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    0.1160   -1.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4279    1.5314    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777    0.8659    1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433    2.1116    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358    0.5629   -1.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.2909   -2.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    1.4957   -2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610   -1.9884   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827   -1.0801   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -1.3399    0.9804 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