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
    1.2589   -1.3379    1.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456   -0.8770    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -1.1441   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -1.8738    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957   -0.5997   -1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661   -0.1019   -0.4589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    0.2279   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382    1.1555   -0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    1.5542   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453    1.0368    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282    0.1343    1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.2726    0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5824    1.4782    0.4373 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.1091    2.2937   -0.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3374    0.9817    1.4804 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.4468   -2.2583    1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8054   -2.0744    0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -0.5956   -1.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    0.4910   -1.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9803   -1.0458   -2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827    0.2519   -1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652    1.5591   -1.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9535    2.2796   -1.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1948   -0.2707    1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665   -0.9921    1.5684 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