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
   -2.4644    1.4600   -1.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522    0.5790   -0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.1088   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -0.8164    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296   -1.0012    0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -1.8049    1.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782   -0.1363    0.0973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639    0.0032    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -1.0783    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.9741    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    0.2081   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299    1.2874   -0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529    1.1871   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309    0.3312   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9043    0.4708   -0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6987   -1.3273    1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632   -2.0166    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136   -1.8602    0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    2.2252   -0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354    2.0474   -0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701    1.3148   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743    0.2937    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450   -0.5016   -0.8280 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