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
   -2.6004   -0.3982   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    0.0413   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398    1.2692    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7216    1.2962    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    2.2997    0.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783   -0.0303    0.0355 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144   -0.8040   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051   -2.0482   -0.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700   -0.4747    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908   -1.4022   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -0.4398    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943    0.3182   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3794    2.1161    0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.5436   -0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748    0.0946   -0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739   -0.2944    1.0568 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