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
   -1.1496   -2.0240   -0.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471   -0.8913    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965   -0.8049    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150   -1.8986    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8071    0.4802    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8014    0.2234    0.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5945    0.2603   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    1.4910   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    1.6356   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    0.5173   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7657   -0.7136   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850   -0.8311   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8040    0.6473   -0.4586 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.5141   -0.3600   -0.6309 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3466    1.9045   -0.3809 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8898   -1.9018    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -2.8554   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    1.2844   -0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8355    0.4074   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504    0.6668    1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    1.1558    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658    2.3878    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962    2.6057   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -1.5697   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041   -1.8171   -0.3476 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