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
    1.4777    1.6133   -0.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606    0.4920   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    0.1420   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    1.0170   -0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853   -1.1733    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7704   -0.3863   -0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -0.1442    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116    0.9892   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    1.1745   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4042    0.1948    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8187   -0.9905    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573   -1.1494    0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072    0.3871    0.1401 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.3006    1.4472   -0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965   -0.6143    0.6167 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.8197    1.9936   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    0.7753   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6869   -1.2273    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -1.9716   -0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832   -1.3456    1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578   -1.3284    0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737    1.8154   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450    2.1106   -0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4924   -1.7508    0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086   -2.0703    0.8330 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