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
   -1.3299   -0.3305   -1.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -0.0016   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350    0.1760   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669    0.5134    0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0361   -0.0672   -1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.1931    0.2896 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531    0.0627    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189   -0.0601   -0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -0.1986   -0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -0.2184    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419   -0.0891    1.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    0.0468    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683   -0.3593    0.1680 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4911   -0.3700    1.2324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5313   -0.4828   -1.0130 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1008    0.7013    1.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7639    0.6099    0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1672   -1.1351   -1.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5385    0.3991   -2.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0107    0.4451   -1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781    0.4681    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016   -0.0460   -1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -0.2958   -1.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567   -0.1064    2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686    0.1453    2.3332 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