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
    1.4404    1.6119   -0.2029 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    0.3725   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    0.0498   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -1.1931   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    1.1745   -0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7472   -0.6220    0.0324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344   -0.3411    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065   -1.3237    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8453   -1.1301    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4498    0.0318    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216    1.0124   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    0.8227   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    0.1991    0.2914 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.5717   -0.7156    0.7418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4968    1.3440   -0.1152 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6345   -1.4420   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -2.0523    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831    1.6829   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1395    0.7792   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9518    1.9392    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316   -1.6280    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317   -2.2570    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009   -1.9070    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0317    1.9499   -0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399    1.6420   -0.7513 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