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
    2.5924   -0.2730   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    0.0922   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    1.3172    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    1.2725    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    2.2482    0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811   -0.0813    0.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227   -0.8258   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0575   -2.0832   -0.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -0.5959   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565    0.4743   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390   -0.2877    0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.2698   -0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657    2.2455    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7257   -1.2187   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299    0.2586    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6744   -1.2731    0.8513 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