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
   -1.3331    1.6324   -1.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    0.7287   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743    0.6207    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0076    1.4819   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5999   -0.4544    0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7989   -0.1742    0.2550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -0.1631    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -1.0660    0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -1.1829    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -0.3834   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.5127   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    0.6088   -0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -0.5172   -0.3750 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4526   -1.3140    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4492    0.2846   -1.2758 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0665    1.4019   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204    2.2667   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053   -1.4565    0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6445   -0.3421    1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -0.4006    1.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092   -0.9198    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530   -1.7145    1.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225   -1.9155    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    1.1483   -1.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    1.3174   -1.4708 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