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
   -2.2938    0.7566    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9741    0.2757    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320   -1.1259   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304   -1.1997   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    0.1654   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465    0.4970   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016    1.0405   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2433    2.3018   -0.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0434   -0.0305    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536    1.5882   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450    1.2191    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -1.7104    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626   -1.5110   -0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342   -1.6139   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272   -1.9315    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    1.5438    0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063   -0.2654   -0.1818 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