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
    3.2406    0.2848   -1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8684   -0.1425    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -0.2456    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -0.6721    1.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870    0.1028   -0.3116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917   -0.0016    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3656   -1.4237    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226    0.4245   -0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2099    0.9510    1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233    0.5877   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894    0.3323   -1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -0.4344    0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5835    0.4516   -1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4647   -2.0692    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846   -1.9080   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902   -1.4677    1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9246    0.6196   -0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.4041   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722    1.3330   -1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3183    1.0960    1.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388    1.9575    0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.6280    1.9075 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