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
    1.4072    1.2774   -1.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515    0.4411   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    0.2670    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395   -0.5666    0.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639    1.1383   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -0.3072    0.3923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -0.2376    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108    0.5691   -0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    0.5561   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4846   -0.2905   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -1.1150    0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725   -1.0886    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9066   -0.2941   -0.2861 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.6613   -1.0343    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927    0.5499   -1.1957 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.0434   -1.2273    1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7200   -0.6245    1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6343    1.8755    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    0.4799   -1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    1.7289   -1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -0.9963    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692    1.2405   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919    1.2111   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4512   -1.7881    1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980   -1.7649    1.6392 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