Monomers

1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.4523    0.5102   -0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525   -0.5607    0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -0.4494    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579    0.7040   -0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    0.8136   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5336   -0.2189    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046   -1.3742    0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734   -1.4883    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -0.0690    0.1766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    0.9258    0.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    1.8175    1.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182    0.7121    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2604   -0.3204   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9497   -0.8336   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018   -1.8130   -1.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0523    1.0038   -1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    1.2072    0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4758    0.0726   -0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    1.5772   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157    1.7361   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997   -2.2104    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -2.3862    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8888    1.3381    1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2120   -0.6941   -0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
  8 22  1  0
 12 23  1  0
 13 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers