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
   -1.6426   -1.0525    0.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730    0.0763    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242    0.5986    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841    1.7455   -0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2450   -0.2244    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6145    0.7422   -0.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    0.3093   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202   -0.7365    0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -1.1667    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -0.4843   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    0.5805   -0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    0.9677   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496   -0.8684   -0.0360 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.1043   -1.8264    0.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6526   -0.1845   -0.7935 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4016    2.0912   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091    2.3659   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6649   -0.8888   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1041    0.4094    0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041   -0.9006    1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    1.6967   -0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346   -1.2858    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706   -1.9921    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    1.0938   -1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926    1.7958   -1.5065 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