Monomers

1-Methyl-3-methylene-2-pyrrolidinone

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InchI Key
AFXKUUDFKHVAGI-UHFFFAOYSA-N
SMILES
CN1CCC(=C)C1=O
Canonical SMILES
CN1CCC(=C)C1=O
Isomeric SMILES
CN1CCC(=C)C1=O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.4047
H Bond Acceptors
1
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

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.3993    0.5659    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066    0.1907   -0.0624 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -1.1262   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9523   -1.1382   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459    0.2798    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006    0.6693    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220    1.0419    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0852    2.2884    0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    1.0570   -0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    1.2870    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -0.2956    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0261   -1.8808    0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316   -1.3611   -1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195   -1.6483    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5506   -1.6239   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    1.7179    0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4258   -0.0238    0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers