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
   -3.4340   -0.6547    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521    0.0681    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767    1.1652    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9734    1.8128    1.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    1.3599    0.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    0.2607    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845   -0.3673   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.2038   -0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.4891   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -2.4821   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -1.4779   -1.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -0.2755   -1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5965    0.5611   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    1.7834   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580   -0.4200   -0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1790   -0.4364    1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2129   -1.7489    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876    1.5169    1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    2.6751    2.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    1.8823    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -1.2379   -0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -2.3285   -1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    0.0366   -1.6336 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