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
   -2.3714    0.3784    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707    0.2114   -0.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486   -0.9675   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -1.1254   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    0.2521    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    0.7030    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195    1.0762    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    2.3257    0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6644    1.4259    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014   -0.1571    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407   -0.1058   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761   -0.6585   -1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894   -1.8428   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8634   -1.7378    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -1.5503   -0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    0.0350    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7008    1.7376    0.7354 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