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
   -1.3854   -1.3351   -1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -0.2892   -0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053    0.0207   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5615    1.0598    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0913   -0.9273   -0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    0.5544    0.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    0.3198    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.4345   -1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493   -0.6568   -1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907   -0.1233   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    0.6453    0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010    0.8790    0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925   -0.3278   -0.1165 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3119   -1.0093   -1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5924    0.2172    0.8452 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9216    1.7637    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6275    1.2507    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0723   -0.4485   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6707   -1.1022   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0612   -1.8655   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104    1.4243    0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.8889   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474   -1.2586   -1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    1.0619    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511    1.4703    1.7651 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