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
    2.5886   -0.3694   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629    0.0827   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    1.3187    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553    1.3205    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402    2.3007    0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912   -0.0285   -0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015   -0.8007   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473   -2.0578   -0.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587   -0.5325   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349   -1.3984   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266   -0.3308    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2146    0.2579   -0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    2.1944    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -1.6181    0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -0.0565    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568   -0.2822   -1.0249 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