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
   -1.2909    0.7382    1.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7008    0.3007    0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1563    0.2141    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    0.6002    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689   -0.2958   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232   -0.1107   -0.2692 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812   -0.1009   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    0.1307    0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    0.1367    0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4173   -0.0884   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6681   -0.3207   -1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014   -0.3327   -1.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.0860   -0.2710 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3990   -0.3013   -1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147    0.1389    0.8246 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0544    0.5481    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6156    0.9774    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320    0.4808   -1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434   -1.2495   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7339   -0.5209   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -0.4707   -1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268    0.3116    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    0.3252    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230   -0.5014   -2.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.5237   -2.3158 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