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
   -1.4725    1.6031   -0.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    0.3948    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798   -0.0020    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6133   -1.2133    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912    1.0952   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -0.5337    0.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.2800    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    0.9577    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    1.0954    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4923    0.0493    0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161   -1.2147    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622   -1.3801    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9106    0.2114    0.0888 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.6784   -0.7485    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3820    1.5020    0.0998 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9625   -2.0590    0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6827   -1.4690    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0693    0.6635   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4690    1.4538    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524    1.9317   -0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.5425    0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    1.8351    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359    2.0957    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5924   -2.0664    0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -2.3793    0.1271 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