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
    3.3480   -0.2729    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.8393    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    0.9343    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    2.0329    0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -0.2253    0.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9321   -0.1495   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315    0.5194    1.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    0.5434   -1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4823   -1.5562   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -1.2439    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.2326    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261    1.7892    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328   -1.1599    0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    0.2262    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    1.5996    1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247    0.0036    2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3118    0.1843   -1.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.1745   -2.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    1.6368   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5927   -1.4988   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -2.0099   -1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156   -2.1344    0.7563 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