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
   -1.1050    1.8152   -1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952    0.7136   -0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    0.5233   -0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7813    1.5023   -1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -0.7625   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8092   -0.3197   -0.1063 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820   -0.2375    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3463    0.7189   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    0.7374   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756   -0.2153    0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -1.1826    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461   -1.1869    0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -0.2057    0.8303 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1451   -1.0648    1.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341    0.7690    0.2427 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.2893    2.4074   -1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8404    1.4177   -1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7195   -0.7927   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393   -1.5586   -0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936   -0.9448    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3377   -1.2107    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019    1.4831   -1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298    1.5117   -0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458   -1.9472    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -1.9708    1.3719 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