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
    1.5644    0.5398    1.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536    0.0724    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595   -0.1080   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.5850   -1.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    0.2686    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537   -0.2509   -0.7823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -0.0706   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707   -0.7266   -1.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0104   -0.6265   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377    0.1498    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    0.8068    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    0.6900    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8063    0.2874    0.5414 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.1185    1.0039    1.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8011   -0.3395   -0.1649 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7103   -0.8687   -2.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -0.7131   -1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541    0.8445    0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    0.8069    1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677   -0.6762    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   -0.6536   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -1.3599   -1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -1.1497   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167    1.4249    1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    1.2335    1.2779 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