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
    2.4119    0.3937   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026    0.1079   -0.1883 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3629   -1.2114   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047   -0.9964    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.3781    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    0.8115    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706    1.0336   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499    2.2362   -0.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -0.5501    0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.0900    0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550    0.8895   -0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214   -1.9752    0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -1.4986   -1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998   -1.7277    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909   -0.9893    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785    0.1959    0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    1.8123   -0.3407 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