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
    3.3909    0.2009   -0.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -0.8654   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462   -0.9031   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -1.9946   -0.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.2679   -0.1551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    0.2098    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7529   -0.4083   -0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    1.6128    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127   -0.5968    1.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339    0.1352   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    1.1696   -0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380   -1.8414   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854    1.1714   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201    0.1695   -1.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109   -1.4599   -1.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8184   -0.3854   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681    2.3767   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5401    1.6918    0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3656    1.8695    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281   -0.2903    1.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306   -0.4577    2.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2892   -1.6722    1.1485 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