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
   -2.2684    0.5942   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847    0.1977   -0.0977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -1.1378    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -1.1847   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139    0.2307   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    0.6755    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151    1.0578    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818    2.3106    0.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265    1.3762   -1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    1.0173    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8191   -0.2964   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -1.9210   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215   -1.2480    1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -1.5400   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478   -1.8383    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584    1.7331    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -0.0269   -0.0971 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