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
    2.5000    0.6847    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    0.2964    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -1.0159   -0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252   -1.2319   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304   -2.3675    0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316    0.0465    0.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298    1.0065    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0823    2.2582    0.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590    0.2984    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    1.6694    0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3805    0.0674    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464   -0.9674   -1.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -1.8216   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.4408    0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850    1.3156    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640    0.2021   -0.9602 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