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
   -2.2135   -0.0057   -0.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    0.2442    1.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2727    0.5579    2.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.8218    3.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7737    0.5791    2.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541    0.2059    0.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531   -0.0766   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -0.2256    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271   -0.4945   -0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570   -0.6269   -2.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -0.4843   -2.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943   -0.2100   -1.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598   -0.9086   -3.2982 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.9277   -1.0262   -4.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006   -1.0479   -3.0554 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2551    1.0523    4.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    0.8382    3.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1638    1.1775    3.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2099   -0.4171    2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1617    1.0489    1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    0.4238    1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -0.1323    1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9822   -0.6024   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025   -0.5827   -3.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395   -0.1088   -1.6909 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