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
    1.5037    0.9549    1.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7744    0.2082    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -0.0020   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.7385   -1.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2423    0.6476    0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932   -0.3545   -0.6876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -0.1875   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -0.5263   -1.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9913   -0.4129   -1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758    0.0475    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585    0.3869    1.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821    0.2659    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8736    0.1666    0.3069 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.6481   -0.1536   -0.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3559    0.6218    1.4974 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5964   -0.8835   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833   -1.2191   -1.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    1.5256   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8534    0.9799    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -0.0743    0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356   -0.9750   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403   -0.8887   -2.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.6868   -1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    0.7560    2.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    0.5418    1.6193 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