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
   -1.3514    1.9770   -0.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222    0.7849   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689    0.4798   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0641    1.4374   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392   -0.9288   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -0.2830   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905   -0.1539    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -1.3261    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190   -1.3106    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108   -0.1249    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    1.0353    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973    1.0061    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8262   -0.1253    0.2940 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4256    0.9578    0.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401   -1.2891    0.3716 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1016    1.1785   -0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7609    2.4723   -0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3649   -1.4784   -1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1362   -1.4630    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7079   -0.9841    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.2659    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617   -2.2906    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -2.2307    0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305    1.9791    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    1.9463    0.0104 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