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
   -4.5000    0.3503   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978   -0.6245    0.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2203   -0.4444    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4129   -1.4661    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -1.2846    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170   -0.1346    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2712    0.8883   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6457    0.6984   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255   -0.0099    0.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385    0.7303    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    1.3600    1.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    0.6208    0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -0.1291   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546   -0.5492   -0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015   -1.2699   -1.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1230    1.3531    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    0.1565    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6392    0.2285   -1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011   -2.3899    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095   -2.0890    1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1571    1.8059   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540    1.5031   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743    1.0788    1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226   -0.3827   -1.0011 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