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
    4.5750    0.0824   -0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    0.9317   -0.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    0.6070   -0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629   -0.6498   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -0.9162   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696    0.0775   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    1.3493    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    1.5876   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -0.1784    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926   -1.4442   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945   -2.6038   -0.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0454   -1.2308    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592    0.0374    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9842    0.7849    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9115    2.0468    0.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861   -0.8699   -0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959   -0.1274   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138    0.6140   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -1.4502   -0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349   -1.9460   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389    2.1901    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239    2.6153    0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7923   -2.0360    0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2180    0.5286    0.4296 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