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
   -1.4262    1.4876    0.6001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272    0.2766    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179   -0.1478    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859   -1.3676    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1854    0.8242    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940   -0.5899   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -0.3034   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992   -1.3668   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349   -1.1231   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    0.1778   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314    1.2451   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1819    0.9721   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7970    0.3715   -0.6285 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.2545    1.5161   -0.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346   -0.6957   -0.6849 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7754   -2.1173   -0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5548   -1.6519    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7879    1.7835    1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7730    0.3718    1.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993    0.9315    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9559   -1.5961   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -2.3837   -0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533   -1.9585   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    2.2331   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    1.8638   -0.2276 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