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
    1.6284   -1.2660    0.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996   -0.0681    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    0.4932    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578    1.7094   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2707   -0.3340    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6436    0.6235   -0.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1460   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695    0.8735   -0.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775    0.5190   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -0.5972   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059   -1.3486    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514   -0.9777    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8011   -0.9581   -0.3131 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.5786   -0.2388   -0.9528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2327   -2.0871    0.3284 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.6233    2.4080   -0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3842    2.1309   -0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2348    0.1924    0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811   -0.7012    1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110   -1.2512    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296    1.6219   -0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923    1.7707   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6513    1.1688   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455   -2.2370    0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787   -1.5923    1.0599 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