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
   -1.4495    1.8172   -0.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7650    0.6538   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005    0.3539    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1233    1.2737   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -1.0168    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879   -0.3192    0.1302 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114   -0.1758    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -1.2177    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251   -1.1651    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183   -0.0172   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104    1.0312   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.9500   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    0.0482   -0.2945 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4261    1.0607   -0.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6062   -1.0226    0.0900 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1637    1.0225    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8886    2.2928   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6533   -1.0881    0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4369   -1.6684   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -1.4050    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716   -1.2904    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963   -2.1152    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868   -1.9700    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0689    1.9298   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    1.8276   -0.7906 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