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
   -2.9654    1.7942    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892    0.5757    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646   -0.6843    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -1.7828    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855   -1.6697   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -0.4141   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    0.7233   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.2829   -0.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    0.7242    0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    1.6007    1.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    0.5682    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135   -0.4442   -0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226   -1.0186   -1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431   -1.9843   -1.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510    2.4845   -0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0205    1.5386    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    2.2920    1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7344   -0.7825    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -2.7622    0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453   -2.5425   -0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244    1.6828   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    1.1895    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489   -0.8056   -1.1680 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