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
cid=

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
   -2.2652    0.7614    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9363    0.1940    0.2570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -1.0800   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -0.7540   -1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3779    0.0762   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    0.1655    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2956    0.7870    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3710    1.7654    1.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330    1.8699    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584    0.3772    1.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313    0.4298   -0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -1.7930    0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -1.4362   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014   -0.1215   -1.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925   -1.6471   -1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9892    0.8121    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637   -0.4068   -0.3041 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