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
    4.5836   -0.0379    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169   -0.5747   -0.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394   -0.3852   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    0.3678    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082    0.5248    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740   -0.0657   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097   -0.8164   -1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -0.9777   -1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703    0.1266   -0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.8609   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -2.0465   -0.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -0.2610    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1150    1.0028    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6891    1.2898    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1813    2.4004    0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7339   -0.7536    1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    0.9238    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    0.0775   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331    0.8337    1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1439    1.1101    1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -1.2940   -1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452   -1.5695   -2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2612   -0.7270   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196    1.7128    0.6353 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