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
    2.3928    0.8375    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764    0.3275    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -1.0136   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407   -1.2770   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -2.4329   -0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352   -0.0402   -0.0887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352    0.9577    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    2.2156    0.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516    0.1964   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393    1.8394    1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.2992    0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594   -1.7730    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.9287   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7364    0.5407   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0509   -0.7066   -0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868    0.9580    0.5484 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