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
    3.3604    0.6537    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    0.2098   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743   -0.0509   -0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129   -0.4820   -1.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315    0.1327    0.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -0.1332    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335    0.1912    1.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607    0.8239   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -1.5612   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639    0.8423    1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.8433    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    0.0371   -1.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979    0.4843    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061   -0.0666    1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    1.2373    1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264   -0.4669    2.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    1.7477   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087    1.0417   -0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5327    0.3367   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914   -2.1673    0.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -1.5749   -0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -2.0784   -0.8820 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