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
    1.4900   -0.2127   -2.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7877   -0.1924   -0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988   -0.3087   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085   -0.4303   -1.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831   -0.2883    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751   -0.0598    0.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124    0.0612   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2509    0.0734   -1.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277    0.1956   -1.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160    0.3129   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260    0.3066    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528    0.1829    0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    0.4385   -0.5568 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.3440    0.4422   -1.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5919    0.5538    0.5783 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.1649   -0.5184   -1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077   -0.4536   -2.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023   -0.9351    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -0.6544    1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.7746    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.0519    1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6945   -0.0138   -2.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0921    0.2008   -2.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4487    0.3986    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893    0.1781    1.9446 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