Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
   -4.0514    0.0683    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -0.0288    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -1.2727    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -1.4836    0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472   -0.3772    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473    0.8679   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    1.0542    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    2.0276   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -0.4929   -0.1712 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -1.2569   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906   -1.9687   -2.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743   -1.0757   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915   -0.2671    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    0.1319    0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    0.9034    1.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5424   -0.1768   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715   -0.6958    1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3691    1.0456    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6049   -2.1486    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752   -2.4461    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    2.0350    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730    1.7276   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307    2.6026   -1.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    2.6795    0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4484   -1.5220   -1.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8584    0.0693    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers