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
   -1.4759    1.3438    1.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7467    0.4432    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    0.1622    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0822    0.8515    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5014   -0.9002   -0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -0.3135   -0.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197   -0.1161   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    1.0600    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    1.1326    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    0.0983    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309   -1.0754   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790   -1.1897   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    0.1986    0.4393 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5225   -0.7469    0.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149    1.3646    0.9325 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1335    0.6710    0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8153    1.6282    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452   -0.5517   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9366   -1.8554   -0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5879   -1.1041   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -1.0890   -1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5126    1.9300    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915    2.0753    0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -1.9327   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -2.0845   -0.8158 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