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
    2.3701    0.4384    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    0.1068    0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -0.8436   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -1.0596   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    0.1725    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    0.7491    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085    0.6731    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477    1.4669    1.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -0.4492    0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.0610    1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    1.0876   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068   -0.4459   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -1.8044   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -1.9058    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999   -1.2133   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3960    0.3068   -0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508    1.6598    0.8868 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