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
   -2.3731    0.5244    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9982    0.1292    0.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254   -1.1965    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827   -0.9731   -0.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2748   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5699    0.6507   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1374    1.0123    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    2.2237    0.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769    0.4759    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658    1.5171   -0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760   -0.2721   -0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249   -1.4618    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112   -1.9461   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850   -1.8079   -0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022   -0.7228   -1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -0.0001   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    1.5724    0.4025 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