Monomers

1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-

Identifiers

IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.7328
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.2907    1.7566    2.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    1.8472    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212    2.9664    0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9289    2.7108   -0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4901    1.4100   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    0.8664   -2.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649    0.8842   -0.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -0.3360   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -0.3676   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.9283   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -1.5532   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349   -2.7544    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2761   -2.7387    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4394   -1.5390    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345   -1.5118    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4841    3.8826    1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    3.3421   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    0.9153   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    1.0151    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894    1.7930   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380   -1.5250   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246   -3.6967    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831   -3.6639    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -2.4714    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382   -1.5362   -0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2779   -0.6240    0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers