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
    3.7497    0.7167   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547   -0.1278   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715    0.3216   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    1.5439   -0.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3024   -0.5846    0.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683   -0.2256    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -1.4723    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    0.6216    1.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993    0.5403   -1.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    1.7710   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    0.3622   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -1.1992   -0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -1.5884    0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133   -1.2318    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780   -2.1239    1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574   -2.0471   -0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0142    1.6881    1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    0.5793    1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    0.2191    2.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180    0.5857   -0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576    1.5790   -1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    0.0721   -1.9576 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