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
   -1.1703    1.9555    0.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    0.8003    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088    0.6222    0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698    1.6671    0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730   -0.7109    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -0.3302    0.1345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -0.2717    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    0.7128    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    0.7138    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678   -0.2609   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.2537   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -1.2806   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743   -0.2903   -0.1577 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.4432    0.5898    0.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939   -1.2779   -0.8636 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9544    1.5503    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4055    2.6210    0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846   -1.0952   -0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -1.3878    0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7606   -0.6812    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -1.2780   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174    1.4828    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    1.4827    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1041   -2.0313   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -2.0484   -1.0871 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