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
    4.5451   -0.2332   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5373   -0.9069    0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -0.6129    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -1.3537    0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -1.0731    0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -0.0418    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3374    0.7086   -0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    0.4199   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.2242    0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238    1.3760    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    2.3116    1.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369    1.2181    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2410    0.0750   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495   -0.6055   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720   -1.7270   -1.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957    0.0033   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    0.7288   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4437   -0.8761   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158   -2.1723    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016   -1.6547    1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0733    1.5107   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    1.0079   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7689    1.9628    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2059   -0.2896   -0.7369 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