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
    4.4629    0.8821    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -0.1216    0.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640   -0.1148    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984   -1.2093   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214   -1.2559   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -0.1844   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    0.8846    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    0.9345    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698   -0.2287   -0.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090   -0.4254   -1.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -0.5873   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -0.4130   -0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2744   -0.2221    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360   -0.0994    0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434    0.0867    2.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592    1.8905    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4131    0.9242    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977    0.5642    1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -2.0676   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289   -2.1069   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    1.7495    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.8105    0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9850   -0.5327   -1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1780   -0.1575    0.9442 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