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
    2.3197    0.7614    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604    0.2836    0.1550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -1.0088    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393   -1.2469   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    0.1087   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6269    0.4379   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849    1.0157   -0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315    2.2386   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    1.8641    0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101    0.3873    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614    0.3933   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393   -1.8039    0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011   -0.9675    1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718   -1.5322   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156   -2.0105    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3431   -0.3660   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    1.4454   -0.3062 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