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
   -2.2085   -2.0789   -0.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -0.9865   -0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -0.4690   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9093    0.7194    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322    1.0980    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    2.1997    0.9805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6947    0.0261    0.0286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2585   -0.0375    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4277   -1.2313    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -1.2401    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5206   -0.0675    0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617    1.1363    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632    1.1367    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -0.0816    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8251   -0.9733   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7493    1.3926    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1145   -2.1376    0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887   -2.2098    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    2.0571    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    2.0848    0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4135   -0.2998   -0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422    0.8780    0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -0.9159    1.1532 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