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
   -3.1042    1.4894   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902    0.3249   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207   -0.9831   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860   -2.0046   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210   -1.7611   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1216   -0.4530   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.5545   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1018   -0.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.7260    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -1.7432    1.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049    0.0235    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    1.0215   -0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    0.9997   -0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308    1.7965   -1.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459    1.9811   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186    2.1479    0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    1.1181   -0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6902   -1.1483   -0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0505   -3.0053   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013   -2.5762   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    1.5569   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.2532    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269    1.7420   -0.9193 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