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
   -1.2369   -0.9618   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6874   -0.5814   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158   -0.7166   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8772   -1.2445   -1.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236   -0.2784    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799   -0.0236    0.2841 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    0.1613    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    0.7441    1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134    0.9794    1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830    0.6529    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.0855   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -0.1438   -0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    0.8926    0.1362 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4597    0.5883   -0.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3711    1.4596    1.2284 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4778   -1.5764   -2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9315   -1.3522   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6745   -0.8405    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -0.5995    1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9827    0.7849    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709    0.2738    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195    1.0348    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.4283    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -0.1829   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -0.5837   -1.7537 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