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
    2.5992   -0.3907    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    0.0154    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    1.2361   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033    1.2847   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994    2.3032   -0.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923   -0.0246   -0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095   -0.8179    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185   -2.0364    0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5691   -0.4882    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442   -0.4891   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6251   -1.3765    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    0.3985    0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    2.1061   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376   -0.2842    1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1551    0.1099   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601   -1.5464   -0.2745 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