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
    3.4009   -0.0534    0.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -0.9933   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -0.9161   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -1.8628   -0.7415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428    0.2021    0.1842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    0.2663   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339   -0.8271    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915    1.5936    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2285    0.0986   -1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -0.1764    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476    0.8533    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -1.8956   -0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    0.9979    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886   -0.4643    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818   -1.0397    1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -1.6957    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    1.5967    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733    1.7394    1.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    2.4341   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789    0.4873   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413    0.6356   -1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -0.9806   -1.7728 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