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
    4.5582   -0.0874    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -0.6907    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -0.3872    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816   -1.1110   -0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0359   -0.8803   -0.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    0.0903   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    0.8140    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191    0.5807    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    0.3248   -0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658    1.1603    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3461    1.8311    1.5684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.1304    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394    0.3391   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8911   -0.1983   -1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.9876   -2.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3456   -0.8682    1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837    0.2794    1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    0.7558    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -1.8782   -1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -1.5252   -1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197    1.5980    1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    1.1610    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9719    1.6902    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    0.1162   -1.4619 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