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
   -1.5428   -0.2577   -1.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7739    0.0262   -0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1585    0.1391    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4512    0.4230    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2451   -0.0776   -0.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    0.2133    0.6447 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6993    0.1058    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    0.7287    1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668    0.6309    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4403   -0.0637   -0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930   -0.6636   -1.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280   -0.5779   -0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8243   -0.1471   -0.6404 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1638   -0.7890   -1.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002    0.4398    0.1190 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7053    0.5852    2.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5152    0.4941    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0946   -0.6518   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5556    0.9361   -1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535   -0.6132   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509    0.4539    1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074    1.2731    1.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    1.1046    1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -1.2337   -2.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.0998   -1.4863 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