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
   -2.6050   -0.4030   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693    0.0385   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7321    1.2734    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    1.3249    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    2.3042    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -0.0022   -0.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -0.7989   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073   -2.0386   -0.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -0.4674   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -0.6191   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476   -1.3476    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278    0.3601    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    2.1484    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -0.8295    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    0.3737   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -1.3170   -0.7624 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