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
   -2.6091   -0.4777   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1895    0.0104   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7751    1.2449    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794    1.3263    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    2.3659    0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896    0.0135    0.0356 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255   -0.7884   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -2.0343   -0.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905   -0.3832    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181    0.2688   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -0.7389    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5471   -1.4215   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    2.0943    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -1.4674   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766    0.1929   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0354   -0.2056    1.0131 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