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
    2.3685    0.5080    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    0.2004   -0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4354   -0.9452   -0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8359   -1.1977   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3228    0.1859    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744    0.5670    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321    1.0279    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740    2.2881    0.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    1.6129    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0616   -0.0382   -0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    0.2584    1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156   -1.8213   -0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822   -0.6466   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -1.6133    0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519   -1.8198   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8158    1.6009    0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544   -0.1674    0.4164 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