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
   -2.3848    0.4411   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812    0.1198    0.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487   -1.2200   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -1.1186    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094    0.3361    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    0.8784   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    1.0613    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    2.2844    0.4084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    1.0717   -0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0166   -0.4700   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877    1.0367    0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031   -1.7926    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -1.6947   -1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210   -1.4626    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078   -1.6417   -0.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    0.2270   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5801    1.9439   -0.2959 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