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
   -2.4066    0.5471    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.0960    0.1852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956   -1.2090   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9484   -1.0274   -0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    0.3034    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335    0.8182    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951    0.8802    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955    1.9355    1.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6617    0.6558   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4831    1.5376    0.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -0.1787    0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008   -1.9034    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -1.6629   -1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5985   -1.8381   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014   -1.0246   -1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    1.7946    0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.2756   -0.4049 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