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
    2.6224   -0.2845   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664    0.0708    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    1.2084    0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7687    1.1976    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5789    2.0874    0.8696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838   -0.0553   -0.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146   -0.7592   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -1.9233   -0.8088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -0.5146   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.3815   -0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1045    0.3105   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -0.0259    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    2.0545    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.7482    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1773    0.2303   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543   -1.4669   -0.7689 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