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
   -1.3692   -1.5860    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -0.3741    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.1029    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206    1.1034    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1105   -1.2371   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366    0.6157    0.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594    0.3974    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272   -0.8349    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162   -1.0417    0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331    0.0285    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687    1.2625    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351    1.4655    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538   -0.1284    0.3537 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5634    0.8471    0.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725   -1.3734    0.5628 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9680    1.9330    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6831    1.2755    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6159   -1.9732   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3114   -1.7790    0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0395   -0.9208   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0475    1.6378    0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404   -1.7312    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217   -2.0342    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187    2.1150   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626    2.4355   -0.0136 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