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
    1.3447    1.4944    0.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.5137    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    0.3548   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174   -0.6151   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.3409    0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490   -0.3895   -0.2996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392   -0.3185   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5145   -0.9750   -0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8734   -0.9959   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911   -0.3282    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457    0.3154    1.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1868    0.3285    1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7871   -0.3083    0.5717 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.2403    0.2917    1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6145   -0.9535   -0.3043 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5980   -0.6811   -1.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8965   -1.3555   -1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5138    1.8815   -0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    0.8572    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450    2.0700    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -1.2068   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -1.5072   -1.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399   -1.5091   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9351    0.8498    2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    0.8458    1.7743 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