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
   -3.2548   -1.0527    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943   -0.1283    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421    1.0694   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    1.9123   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    1.5591   -0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    0.3440   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -0.4659    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232   -0.0181    0.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -1.0828   -0.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -1.7430   -1.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.1959   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -0.2759    0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5870    0.4261    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    1.3816    1.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -2.1090    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1790   -0.8084    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4403   -0.8861    1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5764    1.3718   -0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8493    2.8632   -1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5111    2.2728   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -1.4432    0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -1.8628   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475   -0.1285    1.0291 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