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
    1.4835    1.5417    0.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477    0.3325   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.0748   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -1.2953   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800    0.9560   -0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084   -0.5989   -0.2603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -0.2885   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    0.9503   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    1.2015   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4222    0.1967    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896   -1.0676    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576   -1.3262    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8150    0.4184    0.2922 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.3120    1.5539    0.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -0.6141    0.5871 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7828   -2.0980   -0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324   -1.6042   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596    1.3364    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.5749   -0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    1.7636   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347   -1.6452   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7884   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    2.2191   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992   -1.8701    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006   -2.3508    0.2770 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