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
    3.7607   -0.2788    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    0.2886    0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882   -0.0706    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481   -0.9531   -0.7494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.5018    0.6719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798    0.0947    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651   -1.3810    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251    0.8325    0.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874    0.4360   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7311   -1.0249   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.0035    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    1.0191    1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336    1.2091    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -1.8221    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -1.8764   -0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909   -1.5106    1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612    0.7086    1.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318    1.9145    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    0.4056    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    1.3629   -1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040   -0.4347   -1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2680    0.5822   -1.6091 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