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
   -1.3989   -1.3547    0.7012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7394   -0.3370   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1835   -0.1117   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    0.8911   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319   -1.1007    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308    0.4802   -0.5165 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570    0.3113   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.4322    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -0.5637    0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537    0.0511   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864    0.8109   -1.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    0.9421   -1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -0.0851   -0.0123 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4163   -0.7593    0.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634    0.5536   -0.9239 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9188    1.5893   -1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741    1.0295   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0525   -0.5578    0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6318   -1.6002    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633   -1.8549   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236    1.3157   -1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -0.9235    1.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581   -1.1766    1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176    1.3316   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    1.5508   -2.0300 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