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
   -2.5672   -0.4611    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1539    0.0196   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    1.2610   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058    1.3228   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    2.3395   -0.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1756    0.0052    0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -0.8279    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -2.0619    0.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -0.4027    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171   -1.5434   -0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    0.0846   -0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239   -0.3240    1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    2.0763   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853   -1.5102    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577    0.0670   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -0.0446    1.0679 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