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
    3.2444    1.1364    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.1802    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -1.0144   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844   -1.8622   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362   -1.5338   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464   -0.3383   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    0.4753    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5185    0.0132   -0.0234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048    0.7131   -0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8218    1.1009   -2.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635    0.8850   -0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7377    0.3264    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155   -0.2356    1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204   -0.8352    2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    2.1669    0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727    1.1297    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463    0.8381    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188   -1.2318   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918   -2.8012   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064   -2.2119   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    1.4137    0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4729    1.3829   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    0.3027    1.3132 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