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
   -2.5592   -0.5865    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732   -0.0273    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    1.2403   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.3619   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    2.4101   -0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827    0.0495   -0.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -0.8137    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -2.0655    0.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -0.3464   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939    0.1351   -0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.5214   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8683   -0.7002    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    2.1013   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163    0.3061   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947   -0.1661    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -1.3772   -0.4476 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