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
    3.7153    0.2878   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    0.2035    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    0.1091   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    0.1070   -1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2494    0.0183    0.8338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0832   -0.0735    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205   -0.1624    1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1573   -1.3546   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459    1.1488   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345    0.3591   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339    0.2865   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882    0.2052    1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    0.0152    1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7423   -0.7872    2.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0553   -0.6135    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536    0.8849    1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -1.2339   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -1.8140   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567   -2.1460    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    0.9634   -1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301    1.9175   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806    1.6787   -0.2401 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