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
    2.5769   -0.4717   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679    0.0382   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    1.2810   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023    1.3626   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    2.3834   -0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.0230    0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134   -0.7978    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913   -2.0593    0.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609   -0.3858    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -0.6928   -1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    0.2682    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512   -1.4389    0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    2.1562   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6190   -1.3977   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847   -0.5533    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2555    0.2846   -0.3394 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