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
   -0.8431    1.2241    1.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.7712    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    1.0545    0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7182    0.6202   -0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5728    1.8754    1.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    0.0023   -0.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -0.3489   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556   -0.9287   -1.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760   -1.2991   -1.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617   -1.1324   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637   -0.5691    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081   -0.1836    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -1.5159   -0.6564 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3939   -1.3447    0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -2.0816   -1.7820 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4237    0.0164   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7699    0.8724   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983    2.6457    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7188    1.2669    2.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5154    2.3564    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.3485   -1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -1.0602   -2.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.7445   -2.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939   -0.3981    1.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672    0.2499    1.6127 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