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
   -1.4063    1.2951    1.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652    0.5686    0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2014    0.4642    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0378    1.1667    0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6473   -0.3831   -0.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -0.1415   -0.2041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -0.1405    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016    0.5639    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969    0.5017    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371   -0.3004    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -1.0232   -0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -0.9518   -0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501   -0.3966    0.3620 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5183   -1.1215   -0.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5193    0.3218    1.3145 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1155    1.1583    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114    1.7898    1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084   -0.2653   -1.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444   -1.4343   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6694   -0.0294   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -0.7350   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    1.2028    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    1.0835    1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652   -1.6574   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -1.5362   -1.5941 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