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
    4.5290   -0.0849   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180    0.8563   -0.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737    0.5623   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823    1.6107   -0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520    1.3521   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632    0.1220   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -0.9140    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903   -0.6902   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0939   -0.0187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9965    0.6365   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387    1.6398   -1.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2663    0.0452   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -0.9770    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565   -1.1264    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317   -2.0280    1.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429   -1.0896   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913   -0.1347    0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681    0.1869   -0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    2.5864   -0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774    2.1537   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309   -1.9124    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -1.4764    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2618    0.3895   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7429   -1.6138    1.0392 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