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
   -4.5056    0.1328   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5496    0.3618   -1.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    0.2752   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    0.4860   -1.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151    0.4008   -1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    0.1000   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313   -0.1114    0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -0.0271    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257    0.0106    0.1939 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    0.5930    1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.2696    2.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008    0.2532    1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339   -0.4814    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9618   -0.6592   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -1.3099   -1.5875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4182    0.9189    0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5126    0.0101   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2663   -0.8439    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    0.7245   -2.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8819    0.5674   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119   -0.3478    1.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.1957    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7799    0.5400    1.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091   -0.8828   -0.1125 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