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
    4.6227   -0.2449   -0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    0.4700   -0.7717 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206    0.2828   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021    1.1029   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    0.9855   -1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677    0.0340   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -0.7898    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -0.6711    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.0475   -0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689    1.0871    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746    2.2958   -0.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2163    0.5725    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2059   -0.7374    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298   -1.1771    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012   -2.3636    0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151    0.2981    0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240   -0.3052   -1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728   -1.2287    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7005    1.8655   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    1.6755   -1.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481   -1.5458    1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864   -1.3227    0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083    1.1858    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0578   -1.4215    0.4022 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