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
   -1.3067    1.8907    0.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133    0.7260    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560    0.4259    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9991    1.3807    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475   -0.9293   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   -0.3098   -0.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903   -0.1782   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    1.0050   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471    1.0583   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131   -0.0774   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.2703   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749   -1.3368   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345   -0.0548   -0.2930 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4530    1.0212   -0.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5518   -1.2063   -0.3655 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0720    1.1921    0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6245    2.3695    0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0641   -1.7037    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6923   -1.0540    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5536   -1.1511   -1.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.2753   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    1.9469   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274    2.0153   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883   -2.1906   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -2.2942   -0.2386 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