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
    1.5006   -1.5047    1.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859   -0.5225    0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.2300    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093   -1.0174    0.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    0.9115   -0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    0.2716   -0.2442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6384    0.0899   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412   -0.9629    0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -1.0044    0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4383   -0.0291    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    1.0270   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507    1.1042   -0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8526   -0.0667    0.2905 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.5124    0.8549   -0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4758   -1.1001    0.9210 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.1718   -0.8931    0.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298   -1.8776    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    1.8032   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    0.6737   -1.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865    1.2048   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942    1.0845   -0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   -1.7601    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970   -1.8352    1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262    1.8187   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    1.9597   -1.1080 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