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
   -1.4579   -1.6121    0.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -0.3624    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    0.0235    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4924    1.2468    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1603   -1.0438    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795    0.6024    0.1342 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    0.2898   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    1.3374   -0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8223    1.0842   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.1431   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.1369    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -0.9355    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977   -0.3242   -0.6884 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3544   -1.4099   -0.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    0.7139   -1.1650 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5427    1.5111    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    2.0804    0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7015   -1.1424   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825   -0.7483    1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6390   -1.9935    0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    1.6210    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565    2.3015   -0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608    1.8787   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -2.0947    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6266   -1.7436    0.6022 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