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
   -1.3853    1.6346    0.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455    0.5136    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.1176    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0235    0.9406    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623   -1.1937    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7628   -0.3474   -0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -0.1076   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -1.1658   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709   -1.0254   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702    0.2091   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5987    1.2705   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.1021    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    0.3279   -0.6990 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4594   -0.6375   -1.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4085    1.5181   -0.4664 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7765    1.9167    1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0654    0.6573    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -2.0155    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6822   -1.2233   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -1.4448   -0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -1.2759   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497   -2.1117   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4097   -1.8342   -1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    2.2070    0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    1.9677    0.3767 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