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
   -1.3447    1.1760    1.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6767    0.2168    0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -0.2776    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9027    0.2977    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4959   -1.4020   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585   -0.3955   -0.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -0.0205   -0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -0.8794   -1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -0.5890   -1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2679    0.5599   -0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937    1.4173   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    1.1154    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6321    0.8622   -1.0168 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1027    1.9034   -0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    0.0011   -1.7391 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6324    1.1319    2.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9363   -0.0395    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5915   -1.4774   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1668   -1.1594   -1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9841   -2.3569    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -1.1955   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -1.8007   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -1.2668   -1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296    2.3476    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5763    1.8308    0.7031 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