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
   -2.3980    0.4323   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    0.1972   -0.0491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857   -0.9744    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234   -1.1152    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515    0.2796   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    0.7195   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118    0.9971   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    2.1670   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    1.2796   -0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9661    0.5372    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376   -0.4747   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -1.8820    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4703   -0.7377    1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085   -1.6914   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5464   -1.5572    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258    0.0757    0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7936    1.7475   -0.3244 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