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
    1.2981    1.6028    1.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903    0.5700    0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218    0.2609    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    1.0667    1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -0.9634   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -0.3108   -0.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6117   -0.1554   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    0.6657    0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6942    0.7950    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295    0.0650   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328   -0.7852   -1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797   -0.8965   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7352    0.1608   -0.5760 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.3678    0.9192    0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3374   -0.5802   -1.5537 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.0241    0.8186    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    1.9608    1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -0.9422   -1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.8225    0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -1.0346   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911   -1.1795   -0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112    1.2429    1.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    1.4705    1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -1.3624   -2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -1.5659   -1.7970 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