Monomers

1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1,3-dimethylpyrrole-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h3H,1-2H3
InchI Key
HZSAZNPWHKCGKO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.6088   -0.3115   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1622    0.0762   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970    1.2926    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    1.3000    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364    2.2912    0.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016   -0.0520    0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0024   -0.8080   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936   -2.0528   -0.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587   -0.5564    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877   -1.4167   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762    0.0005    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860    0.1788   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937    2.1742    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -1.6283    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596   -0.4550   -0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.0327    0.8872 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers