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
   -1.4156   -0.6468    1.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.2674    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253   -0.2195   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240    0.1565   -1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575   -0.6309    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    0.0932   -0.6245 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733    0.0949   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595   -0.5220    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430   -0.4279    0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    0.2454   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8329    0.8589   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740    0.7867   -1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    0.3112    0.0792 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5866    0.9036   -0.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141   -0.3102    1.1572 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6031    0.1692   -1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010    0.4625   -2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1055    0.0962    1.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895   -1.6784    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1766   -0.5760    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    0.4019   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -1.0779    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1283   -0.9127    1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    1.3992   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217    1.2904   -2.1929 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