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
    3.8162    0.2459    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045   -0.1607   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.1072    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445    0.7189    1.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841   -0.3172   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -0.0588    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537   -0.6915    1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027    1.4115    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567   -0.7020   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    0.7708    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003    0.0888   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   -0.6844   -1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -0.8273   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -0.7930    1.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477   -1.7280    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -0.0842    2.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426    1.4946    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152    1.8470   -0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636    1.9507    1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785   -1.0205   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960    0.0390   -1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7580   -1.6068   -1.1644 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