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
    3.6313    0.4017   -1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -0.3348   -0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    0.2016   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285    1.3637   -0.7114 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -0.5869    0.2236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -0.1168    0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -1.2078    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823    1.1035    1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    0.1903   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    0.0073   -1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855    1.4102   -1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771   -1.3593   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -1.5551    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070   -0.8168    1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940   -1.5574    1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453   -2.0988    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0612    2.0391    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    1.0916    1.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308    1.1133    2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179   -0.6725   -1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    0.2776   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381    1.1063   -1.3219 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