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
   -1.4650    0.9130    1.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7198    0.1802    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194   -0.0064   -0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642   -0.7413   -1.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1467    0.6610    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -0.3975   -0.6853 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -0.2072   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795   -1.2020   -0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203   -1.0535   -0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4028    0.0566    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169    1.0332    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328    0.8969    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    0.2367    0.4239 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5723   -0.6543    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2836    1.3241    1.0707 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7858   -1.2492   -1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210   -0.8683   -1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8194    1.2161   -0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6923    1.3019    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877   -0.1640    1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -1.0267   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669   -2.0571   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206   -1.8269   -0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8447    1.9351    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851    1.6994    0.6006 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