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
    4.5932    0.3059   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869   -0.6658   -0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2438   -0.4204   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991   -1.5232   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0356   -1.3898   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613   -0.1411   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    0.9548   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6505    0.8169   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867    0.0144    0.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -0.9197   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725   -2.0530   -0.8526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3117   -0.3520   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570    0.8556    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    1.1450    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    2.1838    0.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989    0.7027    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5370   -0.2254   -0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    1.1192   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323   -2.5242   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154   -2.2598    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184    1.9645   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    1.6774   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2755   -0.8202   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9400    1.5545    0.6985 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