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
   -1.5056    1.6030    0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    0.3459   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353   -0.0577   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -1.2899   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999    1.0011   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934   -0.5820   -0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791   -0.2747    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    0.9629   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    1.1262   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4515    0.1074    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9111   -1.1525    0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607   -1.3264    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8504    0.3483    0.4276 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5952   -0.6013    0.7249 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    1.5973    0.2188 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8593   -2.1284   -0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5926   -1.5539   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1547    0.6041   -0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657    1.8630   -0.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831    1.3594    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9649   -1.6183   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    1.8057   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    2.1475   -0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903   -1.9521    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738   -2.3347    0.5650 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