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
    2.5968   -0.3083    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554    0.0943    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6497    1.3099    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8038    1.2967    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    2.2569    0.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937   -0.0520   -0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215   -0.7929   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -2.0292   -0.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5366   -0.5878   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.7798    1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.6038    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702   -0.9796   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    2.1928    0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -1.6874   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -0.4085   -1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918   -0.1290    0.4719 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