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
   -1.0187    1.9862   -0.9408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    1.0245   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9721    1.1353    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    2.1920   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439    0.0575    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8473   -0.1143    0.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -0.3386   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067    0.3867   -1.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623    0.1094   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2842   -0.9188   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026   -1.6561    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810   -1.3865    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6619   -1.2140   -0.7145 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1885   -2.1378   -0.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4097   -0.4580   -1.5802 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1732    2.9987   -0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6772    2.2693   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186   -0.1749    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5918    0.4622    1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8190   -0.8474    0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933   -0.8531    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824    1.1960   -1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355    0.7286   -1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9619   -2.4815    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -1.9654    1.1930 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