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
    3.5332   -1.3717    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -0.4336    0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217   -0.5150    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342   -1.4648   -0.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    0.4705    0.4846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    0.4724   -0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665    1.6614    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162    0.3177   -1.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033   -0.7742    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314   -1.3343    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956   -2.1904   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597    0.3885    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093    1.2394    1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    1.8864   -0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    1.4703    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    2.5427    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300   -0.7524   -1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1543    0.7723   -2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    0.8614   -1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7712   -0.7553    0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -1.6680   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6749   -0.8233    1.5441 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