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
    2.4048    0.5242   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9951    0.1863   -0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5096   -1.1897    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744   -1.1009    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633    0.3024   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    0.7445   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1275    1.0688   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    2.3233   -0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019    1.3594   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.8079    0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -0.3319   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8747   -1.7292   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9883   -1.6544    0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260   -1.7667   -0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685   -1.4734    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698    1.8073   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634    0.1219   -0.0690 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