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
   -1.4461    1.2431   -0.9943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    0.2441   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797   -0.0730   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6114   -1.0767    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1927    0.7831   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -0.4972    0.3222 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6541   -0.2285    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715   -1.2241    0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9268   -1.0268    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907    0.1377    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    1.1138   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    0.9266   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    0.3314    0.0141 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.7060   -0.5557    0.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4577    1.4941   -0.4513 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9215   -1.7310    1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6850   -1.2493    0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435    1.3729   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9765    0.0931   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6532    1.4266   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0322   -1.3340    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384   -2.1560    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257   -1.8059    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165    2.0465   -0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908    1.7451   -0.5797 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