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
   -2.1611    1.1417   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    0.4351    0.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.8935    0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.3717   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -0.1258   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -0.0276    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    0.9564   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7252    2.1425   -0.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9443    0.7809    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694    0.9129   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376    2.2287   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853   -1.5348    0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4661   -0.8438    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3041   -1.5702   -1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0261   -2.2175    0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562    0.9098    0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -0.9231    0.0943 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