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
   -1.2756   -1.1571    1.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6779   -0.4875    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191   -0.4337    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9171   -1.0647    0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630    0.3314   -1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    0.1937   -0.5927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    0.1875   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432   -0.2339    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6453   -0.2223    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602    0.2352   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    0.6751   -1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3398    0.6405   -1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771    0.2628   -0.3431 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3754   -0.1253    0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    0.7121   -1.4185 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4916   -1.6266    1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9937   -1.0598    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7700    0.2906   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2696   -0.0727   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311    1.3877   -0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837    0.7212   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7695   -0.5923    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689   -0.5641    1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3087    1.0231   -2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    0.9791   -2.4035 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