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
    2.5683   -0.4020   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    0.0866   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403    1.3246    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    1.3314    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497    2.3365    0.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847   -0.0006    0.0172 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137   -0.7905   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419   -2.0354   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5501   -0.4743   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012   -1.2036   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790   -0.9254    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    0.3717   -0.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    2.1694    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265   -1.5560   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059   -0.2841    0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870    0.0517   -0.8657 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