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
   -1.7937    0.5285    2.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    0.2329    0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3093    0.0658    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1386   -0.2493   -0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -0.3025   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -0.5746   -2.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157    0.0034    0.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3945    0.0180    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -1.1441    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547   -2.4314   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.1664    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568    0.0726    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695    1.2601    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0695    1.2068    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587    2.4609    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3082    0.1641    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -0.4454   -1.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019   -2.7918   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520   -3.1573    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   -2.2834    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283   -2.1032    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    0.0862    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    2.2335    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    2.3600   -0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    2.6714    1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026    3.2849   -0.2013 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