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
   -2.3903    0.5458   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883    0.2407   -0.0314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290   -0.8423    0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680   -0.8404    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551    0.1614   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    0.3332   -0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.9166   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1071    2.0116   -1.2303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288    0.7340    0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440    1.4146   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418   -0.3612   -0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8836   -1.8023    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9518   -0.8315    1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760   -1.8247    0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214   -0.6521    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722   -0.3015   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.0981   -1.5119 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