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
   -0.7206   -0.7953    1.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -0.5856    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397   -0.8936    0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6337   -0.7087   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -1.4596    2.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.0547   -0.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4937    0.2642   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8626    1.1927   -1.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1593    1.5595   -1.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    0.9644   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7871    0.0546    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587   -0.3136    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    1.2938   -1.1353 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.3612    0.7495   -0.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    2.2090   -2.1078 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.3240   -0.3147   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6822   -0.9568   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8086   -1.1022    2.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4323   -1.1062    2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984   -2.5556    2.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666    0.1258   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630    1.6395   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    2.2794   -2.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403   -0.4284    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685   -1.0573    1.0234 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