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
   -2.5348   -0.4907    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386    0.0122    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011    1.2271   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493    1.3365   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    2.3434   -0.6858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    0.0834   -0.0349 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -0.7736    0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -1.9887    0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.3623    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891   -1.3332    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.3289    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641   -0.7971   -0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    2.0353   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.4021   -0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175   -0.8369    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752   -1.1865   -0.6866 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