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
   -3.1538    1.4800    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    0.3455    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222   -0.9578    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520   -1.9591    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209   -1.6820    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169   -0.3647   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    0.6080   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870   -0.0616   -0.1700 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441    0.1300    0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2492    0.0668    2.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7610    0.4276    0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    0.4171   -1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    0.1169   -1.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192    0.0289   -2.5349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6728    2.3805   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5377    1.6070    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9933    1.2102   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6574   -1.2030    0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -3.0029    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708   -2.4290    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5347    1.6241   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742    0.6174    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952    0.6001   -1.7751 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