Monomers

2-Methyl-N-(4-nitrophenyl)prop-2-enamide

Identifiers

IUPAC name
2-methyl-N-(4-nitrophenyl)prop-2-enamide
InchI
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InchI Key
DPNRVEROTZRVQP-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10N2O3
Heavy Atom Count
15
Molecular Weight
206.201
Exact Molecular Weight
206.0691
Valence Electrons
78
Radical Electrons
0
tPSA
72.24
MolLogP
2.1094
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -1.3471    1.4049    1.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    0.5455    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    0.3919    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0199    1.1573    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861   -0.6025   -0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059   -0.2561   -0.2863 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -0.1709   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -1.1859   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684   -1.1868   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4129   -0.1684    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718    0.8437    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.8159    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -0.1340    0.2252 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4226    0.7873    0.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6225   -1.1245   -0.3156 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6543    1.8928    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1041    1.1163    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798   -0.7613   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -1.5614   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6188   -0.1422   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825   -0.9769   -0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9191   -2.0025   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -1.9598   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    1.6432    1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606    1.6343    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 12  7  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
M  CHG  2  13   1  15  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers