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
    2.5403    0.7631    0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157    0.2814    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -1.1684    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -1.2056    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -2.2607    0.4524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449    0.0840   -0.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562    0.9702   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    2.2038   -0.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4666    0.3700   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108    0.1433    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668    1.8286    0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -1.6651   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155   -1.6924    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0512   -0.4717    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815    0.5521   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    1.2675    0.4227 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