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
   -1.6984    1.2546   -0.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122    0.1430    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1568   -0.3041    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3539   -1.4219    1.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245    0.5530    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -0.5613    0.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -0.1875   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    0.8090   -0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    1.0924   -1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4407    0.3856   -0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572   -0.6222    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502   -0.8985    0.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8102    0.6487   -0.7258 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1572    1.5675   -1.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7600   -0.0868   -0.1063 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5476   -2.0618    1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3509   -1.7329    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2257    0.1996    0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164    1.6120    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4604    0.4358   -1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.4842    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    1.3938   -1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501    1.8909   -1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238   -1.2260    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688   -1.7103    1.2795 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