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
    2.6133   -0.3307    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    0.0719    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947    1.2933    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609    1.2991    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5092    2.3080    0.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993   -0.0409   -0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -0.8094   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -2.0379   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654   -0.5218   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.2256    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.3929   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    0.2293   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.1596    0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298   -0.5006   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -1.5954    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561    0.0940    0.4678 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