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
    1.2595   -0.9672   -1.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -0.3786   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.2538   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9432   -0.7566   -1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994    0.4416    0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    0.1579    0.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    0.1086    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.8768    1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569    0.8534    1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4152    0.1039    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231   -0.6492   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -0.6500   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8371    0.0746    0.3168 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.5109    0.7370    1.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5161   -0.6999   -0.5741 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5172   -1.2648   -2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.6529   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1614    1.4276    0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756    0.5815    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5152   -0.1079    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3075    0.6361    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    1.4673    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890    1.4554    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422   -1.2686   -1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510   -1.2720   -1.4228 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