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
   -1.6150   -1.5889    0.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8295   -0.4405    0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302    0.0252    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2161   -0.7797    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    1.3760   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510    0.3907   -0.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316    0.0676    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485    0.9931   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027    0.7862   -0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447   -0.3522    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534   -1.2623    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -1.0616    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493   -0.5641    0.1180 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3030   -1.6052    0.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7418    0.3417   -0.3924 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9890   -1.7808    0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2455   -0.4888    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981    1.5593   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630    2.1813    0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952    1.4061   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444    1.3591   -0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541    1.9009   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118    1.5179   -0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9263   -2.1738    1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183   -1.8073    0.9924 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