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
   -4.4881    0.2453    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6348   -0.4778    0.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519   -0.3474    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -1.0393    1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209   -0.9141    1.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378   -0.1285    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.5491   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387    0.4551   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464   -0.0014    0.1423 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347    0.7414   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1677    1.4312   -1.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0914    0.6112   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418   -0.1706    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579   -0.5841    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -1.3453    1.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634    1.3187    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179   -0.0717   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5182    0.1344    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351   -1.6930    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6403   -1.4789    1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256    1.1846   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    0.9877   -0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748    1.0684   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170   -0.4750    0.7814 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