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
   -2.4131    0.2855    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183    0.1049   -0.0584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.9925   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -1.1127   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    0.3131    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.8078    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461    1.0275    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0741    2.2649    0.5274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    1.3673    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059   -0.0417   -0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116   -0.2873    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -1.9213   -0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1889   -0.6423   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -1.5716    0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -1.6500   -0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803    1.8645    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4054    0.1841    0.1685 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