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
    4.4305    0.5265   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.0331   -1.2691 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268   -0.0645   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154    0.4532    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166    0.4126    0.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5151   -0.1142    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -0.6310   -1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166   -0.5933   -1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.1580    0.5482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -0.4411    1.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436   -0.7175    2.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -0.3565    1.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096   -0.0435    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0075    0.0961   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9413    0.3835   -1.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4161    0.4452   -0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    0.0292    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1513    1.6109   -0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.8833    1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    0.8100    1.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100   -1.0421   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877   -1.0197   -2.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5910   -0.5239    2.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2092    0.0880    0.1360 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