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
   -1.3822    1.6630    0.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776    0.4529    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123    0.1286    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702   -1.0612   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1204    1.2254    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338   -0.5587   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597   -0.3035    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479   -1.2725   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -1.1160   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430   -0.0482   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318    0.8808    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332    0.7646    0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    0.0627   -0.0414 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4475    1.0199    0.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6225   -0.8929   -0.6619 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9823   -1.9305   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -1.2366   -0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0597    0.9713   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839    2.1686    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651    1.3536    1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -1.5365   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162   -2.1381   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365   -1.8629   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713    1.7428    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546    1.5234    1.1223 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