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
   -2.5292    0.7366   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    0.2254   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.2049    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555   -1.1103    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371   -1.9799    1.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358    0.0919    0.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    0.9005   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309    2.0516   -0.8699 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4511    0.3955   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    1.7795   -0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3782    0.1131    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -1.6811    0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0124   -1.7155   -0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873   -0.1154    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.0198   -0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6358    1.4932   -0.0373 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