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
   -1.4493    1.5623    0.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768    0.3479    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1163   -0.0093    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5502   -1.2344   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    1.0910    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -0.6343   -0.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -0.3451   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    0.8893   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633    1.1237   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    0.0837    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -1.1899    0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801   -1.3972    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    0.3103    0.1236 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5814   -0.6417    0.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2871    1.5793   -0.0469 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9331   -2.1002   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6151   -1.4056   -0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6131    2.0177    0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379    0.8032    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5393    1.2614   -0.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230   -1.6374   -0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5638    1.7677   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012    2.1317   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -1.9921    0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516   -2.3820    0.3132 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