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
    3.2109    0.6428    1.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    0.0903    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -0.7332   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -1.2815   -1.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.9705   -1.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246   -0.1645   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378    0.3680    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5137    0.1013   -0.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385    1.2397    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409    2.2273    0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858    1.0289    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8766   -0.1149   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5978   -0.7279   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4663   -1.8434   -1.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -0.1910    1.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902    0.9863    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    1.4416    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368   -0.9326   -0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636   -1.9261   -2.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -1.4011   -1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5262    1.0064    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3320    1.7378    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8348   -0.5835   -0.3906 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