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
    1.6977    0.5062   -1.5362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847    0.1168   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2604   -0.0697    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3085    0.1741   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921   -0.5390    1.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395   -0.1341    0.4073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6021   -0.0021    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437   -0.3246    1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960   -0.2461    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3803    0.1681   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    0.4956   -1.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.3991   -1.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7799    0.2642   -0.6057 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.5919   -0.0279    0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2730    0.6744   -1.8155 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.1433    0.5122   -1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2962    0.0316   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -1.5576    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7809    0.1777    2.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078   -0.4840    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -0.4678    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183   -0.6622    2.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313   -0.4890    1.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215    0.8256   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660    0.6586   -1.9226 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