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
   -2.3115    0.7893   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9663    0.2748   -0.1157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296   -1.1292   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -1.2108    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    0.1604    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515    0.4960    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    1.0532    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3063    2.3047    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858    0.0658   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    0.9517    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    1.7240   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890   -1.6965    0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -1.5419   -1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924   -1.5975    1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400   -1.8948   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932    1.5173    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -0.2663    0.1570 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