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
   -2.5609   -0.3937   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603    0.1072    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    1.3643    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389    1.3711    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801    2.3770    0.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972    0.0460    0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130   -0.7671   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216   -2.0262   -0.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -0.5172   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200   -0.9306    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -1.1411   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269    0.4632   -0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741    2.2185    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.2124    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.0641   -0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -1.3198    0.7866 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