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
   -1.3818    0.0032    1.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604   -0.0582    0.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1993   -0.1459    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0617   -0.1583    1.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6464   -0.2170   -0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795   -0.0411   -0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247    0.0416   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596    0.2763    1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419    0.3323    1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    0.1580   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543   -0.0787   -1.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905   -0.1386   -1.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    0.2231    0.0974 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3492    0.4394    1.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607    0.0578   -0.9805 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1247   -0.2212    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293   -0.1058    2.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856    0.5082   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -1.2245   -1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7071    0.0336   -1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.0969   -1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304    0.4326    2.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252    0.5220    2.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4019   -0.2135   -2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9086   -0.3284   -2.2382 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