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
    3.7146   -0.0552   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6838    0.4088    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481    0.0260    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.7727   -0.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1910    0.5256    0.7157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    0.0741    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2429    0.6176    1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -1.4524    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217    0.4474   -1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192   -0.7303   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049    0.2401    0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355    1.0827    1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3494    1.1746    1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2268    0.4022    2.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595    1.7192    0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705    0.1610    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -1.7749    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8805   -1.9013   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4085   -1.7674    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1158    1.1115   -1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2989    0.9259   -1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728   -0.4626   -1.8531 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