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
   -1.2594   -1.7849   -0.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.6212    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366   -0.4159    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    0.7409    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0648   -1.5971    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396    0.4195    0.2585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628    0.3210    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979   -0.8164    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.7781   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491    0.4124   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    1.5922    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.5221    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    0.4684   -0.2188 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4439    1.5498   -0.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5495   -0.7130   -0.3150 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.7861    0.8386    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0871    1.6196    0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3203   -1.9757    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6445   -2.3715   -0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0308   -1.2793   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    1.3806    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9016   -1.7894    0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922   -1.7314   -0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772    2.5172   -0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597    2.4916    0.1918 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