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
   -1.3851   -1.7414    0.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447   -0.6182    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865   -0.3196    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0314   -1.2434    0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.0176   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889    0.3370   -0.0917 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    0.1568   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.2893   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    1.2175   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.0040   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590   -1.1321    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524   -1.0293    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   -0.0805   -0.1791 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3951   -1.1767   -0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6023    1.0146   -0.3896 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6567   -2.1930    0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1035   -1.0193    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425    1.7767    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7338    1.1556    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    1.0578   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113    1.2533   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.2393   -0.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236    2.0966   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -2.1148    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.9397    0.2549 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