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
    1.1898   -1.9382   -0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766   -0.8411   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -0.6890   -0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9117   -1.6988   -0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7253    0.5987    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267    0.2313   -0.1464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    0.2307   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3564   -0.7517   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634   -0.6891   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220    0.3838   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    1.3726    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571    1.3225    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.4843   -0.1330 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.3752    1.4709    0.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6049   -0.5040   -0.6671 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.4786   -2.6346   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803   -1.5976   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    1.3546   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123    1.0168    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909    0.5162    0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    1.1325    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929   -1.6317   -1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211   -1.5022   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771    2.2181    0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    2.1450    0.8171 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