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
    1.5221    1.0665   -1.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7367    0.0783   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -0.3328   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4601   -1.3335    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813    0.3856   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643   -0.5368    0.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -0.1721    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840   -0.6413    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145   -0.3525    1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210    0.4248    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5353    0.8804   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864    0.5889   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7955    0.7463    0.0239 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.1931    1.4445   -0.9166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7019    0.3087    0.9475 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5246   -1.6361    0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -1.9370    1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0050   -0.2635   -1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    1.1590   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234    0.9633   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176   -1.3469    0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -1.2492    1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5957   -0.7288    1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051    1.4914   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647    0.9928   -1.5962 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