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
    3.6854   -0.8010    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353   -0.7811   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591   -0.2804    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    0.1402    1.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -0.2584   -0.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0368    0.2229   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915   -0.6278    0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162    1.6553    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430    0.1174   -1.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -0.4619    1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -1.1735    0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095   -1.1310   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117   -0.6029   -1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6039   -0.5957    1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.1990    1.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473   -1.6624    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.2288   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868    1.7288    1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1012    2.1937   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -0.2356   -0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181    1.1140   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.5906   -2.0937 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