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
   -1.2806   -1.8499   -0.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160   -0.7284   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1741   -0.4875   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641   -1.5038   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7168    0.8225    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936    0.3087    0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.2398    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    1.3927    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    1.4415    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208    0.3373   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -0.8095   -0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682   -0.8466   -0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    0.4002   -0.0588 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5451   -0.5778   -0.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945    1.5662    0.2677 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5851   -2.4669   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579   -1.4230   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1568    1.2473    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7559    0.6334    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868    1.5500   -0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    1.2253    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758    2.2612    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    2.3544    0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   -1.7053   -0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934   -1.7787   -0.5819 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