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
    2.4484    0.9048   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    0.3246   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0611   -1.1360    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4025   -1.2948    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3878    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -0.0339    0.2054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205    0.9515    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087    2.1884    0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712    0.2675    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688    0.3431   -0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    1.9812   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446   -1.6495   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228   -1.5239    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055   -0.5586    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218    1.1714    0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    0.4520   -0.6561 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