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
   -2.4260   -0.8946    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744   -0.3900   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214    0.9484   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785    1.2980    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    2.4388    0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840    0.0638    0.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -1.0189    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -2.2596    0.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257   -0.0589    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -1.8788    0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3081   -0.2916    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    1.6706   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246    0.7727   -1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732    0.0278    1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -1.0764   -0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.6488   -0.5139 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