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
   -2.4613   -0.9841   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019   -0.3698   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0742    1.0739    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782    1.1472    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    2.0658    1.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488    0.0333   -0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301   -0.8746   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -1.9843   -0.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -0.1374   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -0.4437    0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237   -2.0116   -0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    1.7499   -0.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925    1.3463    1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.3663   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -1.2103   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224    0.2330    0.7436 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