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
   -2.4190    0.4999   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.1564   -0.1275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.1926   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683   -1.1015    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3442    0.3171    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783    0.7687    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1004    1.0310   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237    2.2618   -0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -0.3147    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098    0.8141   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700    1.3946    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963   -1.5854   -1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014   -1.8516    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -1.3826    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865   -1.7235   -0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.8056   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009    0.1024    0.3101 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