Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=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
    2.0996   -2.4791    0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -1.3042    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661   -0.8530    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.4480    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    0.9528    0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    2.1533    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6843   -0.1489    0.3418 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587   -0.0519    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -1.0823    0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9357   -0.9693    0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    0.1390   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7161    1.1689   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    1.0502   -0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    0.2668   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7115   -1.5155    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    1.0838    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1298   -1.9563    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977   -1.7587    0.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1108    2.0809   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846    1.8879   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -0.6083    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3108    1.2155    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2898    0.2802   -1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers