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
    1.3208   -1.8078   -0.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157   -0.6934   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1747   -0.4430   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211   -1.3866   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    0.8786    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047    0.3275    0.1667 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    0.2258    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2577   -0.7711   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365   -0.8333   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891    0.1193    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    1.1262    0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    1.2178    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7957    0.0463    0.0974 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.4595    0.9443    0.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4891   -0.9537   -0.5295 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6626   -2.3346   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710   -1.2053   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    1.0988    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263    0.8785    0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    1.6234   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.2677    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7699   -1.5734   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416   -1.6607   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3356    1.8821    1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    2.0267    1.2783 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