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
   -2.3762    0.5300   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    0.1306   -0.1176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306   -1.2085   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120   -1.1335    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233    0.2657    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    0.7421   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    1.0490   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142    2.3237   -0.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -0.2752   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    1.4667   -0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.8236    1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800   -1.9669    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -1.4835   -1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -1.8737   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7529   -1.2500    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    1.7726   -0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689    0.0873    0.0850 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