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
    4.4344    0.4395   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -0.4476    0.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -0.3554    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113   -1.2114    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421   -1.1280    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -0.1776    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3339    0.6561   -0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015    0.5856   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316   -0.0684   -0.0966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6801    1.1148   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    2.2569   -0.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197    0.7870   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420   -0.5107   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -1.1049    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315   -2.3093    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    0.2834   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4886    0.3869   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    1.5102   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -1.9436    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804   -1.8217    1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1367    1.4078   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3275    1.2696   -1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9284    1.4808   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1474   -1.1000   -0.1389 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