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
    2.5803   -0.3376    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596    0.0865    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055    1.3265    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    1.3072    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.3288    0.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -0.0436   -0.0474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -0.8215   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215   -2.0845   -0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490   -0.5514   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711    0.4982   -0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -1.1013   -0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8526   -0.7740    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    2.2174    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -1.3479    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754   -0.9875   -1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2341    0.2846    0.1609 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