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
   -2.4019    0.4593    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081    0.1468    0.1973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820   -1.1110    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -1.1180   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.2861   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    0.7117   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    1.0515    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630    2.3138    0.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    1.5592   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -0.0181   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9697    0.0925    0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429   -1.9761    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -1.0188    1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -1.2974   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186   -1.8316    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    1.7466   -0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457    0.0032   -0.5235 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