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
    2.5898   -0.4470   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    0.0082    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    1.1982    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6972    1.2814    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761    2.2859    0.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095    0.0237   -0.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455   -0.7626   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0189   -1.9491   -0.6826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -0.3685   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289   -1.5531   -0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.0411   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1377   -0.1941    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745    1.9808    0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.2623   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475   -1.4375    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231    0.2372    0.4911 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