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
   -1.5032    1.5608   -0.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726    0.3252   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.0902   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280   -1.3524   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    0.9489   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7058   -0.5900   -0.1926 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806   -0.2695   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.9719   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025    1.2352   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    0.1833   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -1.0970   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065   -1.3106   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    0.4248   -0.2911 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3106    1.5658   -0.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165   -0.6573   -0.5073 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.8621   -2.1908   -0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961   -1.6485   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1738    0.5869    0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211    1.2674   -1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    1.8754    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744   -1.6155   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.8234    0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    2.2507    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816   -1.8904   -0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267   -2.3074   -0.5506 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