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
    1.2745    0.0647   -2.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7823   -0.0157   -1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -0.0799   -1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859   -0.1563    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.1475    0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -0.2104    2.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0208   -0.0576   -0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827   -0.0237    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952    1.1928    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503    2.4146    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3649    1.2935    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    0.1765    0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -1.0309    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821   -1.1496    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259   -2.4695   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347   -0.0676   -1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636   -0.2160    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    2.6214   -0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    2.3552    0.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    3.2983    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381    2.2535    0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2454    0.2357    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1510   -1.9512    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -3.2177   -0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0883   -2.4246   -1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -2.6878    0.6885 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