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
    4.5102   -0.7399   -0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -0.0324    0.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    0.0071    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080   -0.7306   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.6479   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    0.1580    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2197    0.8986    1.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    0.8122    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880    0.2124    0.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9277   -0.6872   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314   -1.7184   -0.9723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037   -0.2140   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1804    0.9030    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    1.2222    0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582    2.2384    1.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462   -0.2282   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -1.8110   -0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5110   -0.7471   -0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637   -1.3958   -1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.2663   -1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466    1.5531    1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    1.4176    1.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2017   -0.7178   -0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9798    1.5138    1.0327 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