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
   -2.3578    0.6776    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935    0.2497    0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836   -1.1362    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064   -1.1754    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530    0.2018   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6073    0.5446   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824    1.0285   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    2.2726   -0.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    0.8595    1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   -0.0896   -0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196    1.6232   -0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0594   -1.6956   -0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -1.5100    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911   -1.8343   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -1.4260    1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229   -0.1609   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    1.5704   -0.7088 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