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
   -1.3642    1.1100   -1.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    0.2525   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1182   -0.0135   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025   -0.8811    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794    0.7627   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -0.4355    0.2472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -0.2321    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -1.2094    0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491   -1.0642    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430    0.0587    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    1.0074   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.8757   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.2110    0.0389 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5725   -0.6697    0.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641    1.3370   -0.5481 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6943   -1.0090    0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -1.4726    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5147    1.6130   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8384    0.0506   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5597    1.2043   -2.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666   -1.1700    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488   -2.0896    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142   -1.8142    1.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0435    1.8919   -0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504    1.6862   -0.8552 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