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
   -2.3963   -0.1634   -1.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339    0.0941   -0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.2542   -0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078    1.1844   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725    2.1027    0.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -0.1342    0.5370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.8008    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297   -1.9865    0.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183   -0.6542    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6633   -1.2414   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    0.3701   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4711    0.1140   -2.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913    2.1451   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231   -1.4062    2.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9714   -1.0706    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695    0.1926    1.8564 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