Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
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
    2.3879   -1.1156   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014   -0.3817   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    1.0329   -0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    1.0802   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9439    1.8680   -1.4637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287    0.0622    0.1251 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -0.8227    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -1.8467    1.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423    0.0123    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -0.7288   -0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3664   -2.1328    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    1.2398   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686    1.7556    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845   -0.9294    0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0682    0.0414   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7636    0.8652    1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  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
  3 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