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
    1.6656    1.3922    1.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    0.6512    0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988    0.3375    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -0.4746   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8134   -0.7400   -1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462   -1.4776   -1.9687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -0.0437   -0.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.0161    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249   -1.1294    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -2.4026    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -1.0700    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    0.1231    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437    1.2610   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578    1.1699   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761    2.3756   -0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371    0.7035    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493   -0.8901   -1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -2.9421   -0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -3.0017    1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6329   -2.2351    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713   -1.9821    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2518    0.1748    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495    2.2009   -0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    2.1058   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7858    2.8673   -1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2582    3.0421    0.3663 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