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
   -1.2536    1.9582    0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027    0.8093    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626    0.6275    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    1.6772    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627   -0.7283   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130   -0.2649   -0.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6022   -0.2202   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    0.9205   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    0.8768   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121   -0.3302   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -1.4912   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940   -1.4370   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303   -0.3596   -0.1833 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4815    0.7021   -0.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5329   -1.5376   -0.2093 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9953    1.5577    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4938    2.6554    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698   -1.4211    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770   -0.9700   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8112   -0.7318    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -1.2065   -0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    1.8907   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    1.8202   -0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -2.4411   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035   -2.3561   -0.1832 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