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
    2.3576   -0.6701    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -0.1983    0.1534 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5499    1.1785   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076    1.1154   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597   -0.2149    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859   -0.7006    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800   -0.9295    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249   -2.0274    1.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867   -0.1445   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -1.7450   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9896   -0.4467    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637    1.7173    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    1.6917   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627    1.8690    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733    1.3240   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -0.1139   -0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035   -1.7051    0.3389 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