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
   -2.0015    2.3336   -0.8343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450    1.1982   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8560    0.8556   -0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582   -0.3946   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151   -0.9726    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3742   -2.1513    0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717    0.0458   -0.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -0.0005   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665    1.1431    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402    1.0231    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258   -0.1405   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -1.2715   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997   -1.2065   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0271   -0.1994    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6727    1.5378   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8915   -0.9482    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    2.1072    0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    1.9100    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743   -2.2207   -0.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541   -2.0875   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -1.2304    0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3546    0.4170    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4237    0.2521   -0.9510 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