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
   -1.2576    0.6797    1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6817    0.1373    0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1231   -0.0832    0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771    0.2798    1.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831   -0.7151   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -0.2372   -0.2693 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5653   -0.0484   -0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -0.2198   -1.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430   -0.0736   -1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048    0.2535   -0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312    0.4254    0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352    0.2752    0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176    0.4006   -0.5408 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4191    0.2421   -1.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800    0.7256    0.5491 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9471    0.1167    1.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007    0.7462    2.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478   -1.8165   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -0.5634   -0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.2614   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -0.6804   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -0.4758   -2.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014   -0.2060   -2.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3002    0.6824    1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654    0.4163    1.8042 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