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
    2.5018   -0.7787   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173   -0.2301    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    1.1791    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295    1.2375   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753    2.2404   -0.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -0.0526   -0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -0.9831    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726   -2.2369    0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.3592   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.8328   -0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -0.1455   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8619    1.3621    1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353    1.8931   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242   -1.4181   -0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8429   -0.1175    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405    0.2423   -0.8195 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