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
   -1.2198   -2.0331   -0.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682   -0.8669   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1187   -0.6754   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935   -1.7388   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6915    0.6756    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8218    0.2583    0.0229 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    0.2020   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305   -0.9188    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -0.8578    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    0.3400   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    1.4849   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339    1.4493   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872    0.4435   -0.2063 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5077   -0.5695   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855    1.6670   -0.3707 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4725   -2.7497   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9635   -1.5889   -0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019    1.3282   -0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746    0.7091    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    1.0628    1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    1.2026    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -1.8903    0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -1.7717    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0743    2.4690   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    2.3684   -0.2617 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