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
    3.8504    0.1593   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149   -0.4069   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.0975   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435    1.0965    0.5767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965   -0.5001   -0.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0636   -0.0322   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.9203   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855    1.3806   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1852   -0.1281    1.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8583    1.0234    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7906   -0.2085   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -1.2712   -1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624   -1.3455   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -0.3491   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -1.6580   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640   -1.5207    0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695    1.6303    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5512    1.4153   -1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    2.1255   -0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -1.2323    1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666    0.2879    1.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131    0.3568    1.8377 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