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
   -2.1615   -0.0888    1.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9564   -0.1147    0.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645    0.6113   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7786    0.9999   -0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.2793   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5329   -0.7975   -0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361   -0.8844    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398   -1.9059    1.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702    0.9548    1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9366   -0.7422    0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -0.2806    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.1207   -1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263    1.4743   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623    1.7761    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805    1.3633   -1.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -1.7466    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   -0.2190   -0.9115 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