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
    3.8061   -0.5693   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991   -0.7479    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.2373   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4971    0.4066   -1.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073   -0.4300    0.3244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681    0.0751   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3303   -0.2930    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    1.6067   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -0.2745   -1.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512   -0.9750    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172   -0.0212   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509   -1.3075    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -0.9768    1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669   -1.2327    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -0.3267    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984    0.5121    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    1.9259   -0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    1.8255    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353    2.0952   -0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -0.0736   -2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665   -1.3428   -1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212    0.3612   -2.4070 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