Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
H Bond Acceptors
2
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

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.3283   -0.1971   -1.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406   -0.0846   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5135    0.0244    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    0.1249    2.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1764    0.1171    1.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    0.0086    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.0881   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5053    0.0034   -0.0566 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024    1.0898   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744    2.1927   -0.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5867    0.6780   -0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630   -0.5618   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842   -1.0159    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -2.1419    0.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438   -0.6366   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870    0.8417   -1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9134   -0.7893   -2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5666    0.0250    1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642    0.2114    3.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195    0.1918    2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -0.1703   -1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    1.2829   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7007   -1.1060   -0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers