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
    1.2313   -1.1214    1.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -0.4328    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531   -0.2915    0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138   -0.8905    1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948    0.5007   -0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    0.1696   -0.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999    0.1301   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3033    0.6382   -1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741    0.6196   -1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4479    0.1168   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798   -0.3816    0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.3676    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801    0.1137   -0.4137 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.4990    0.5589   -1.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5911   -0.4001    0.6351 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5093   -1.4857    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9835   -0.8122    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077    1.4131   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.1598   -1.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    0.8346   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694    0.7443   -0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7048    1.0412   -2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.0140   -2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071   -0.7878    1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8883   -0.7636    1.6752 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