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
    1.5398   -0.3299    2.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939   -0.1655    1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574   -0.0945    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2604    0.0854   -0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557    0.1441   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501    0.3061   -2.3671 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0112   -0.0113   -0.0432 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -0.0194    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    1.2148    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.4603    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    1.2260    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541    0.0463    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5176   -1.1794    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407   -1.2000    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -2.5050   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884   -0.1737    1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    0.1695   -1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    2.3665   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888    3.2669   -0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0573    2.7905    1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9373    2.2026    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2447    0.0740    0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241   -2.1180    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800   -2.4598   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426   -3.3004   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181   -2.7961    0.9711 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