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
   -2.4307    0.2846    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.0926    0.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3925   -1.1015   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -1.0833   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362    0.3677    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.9860   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    0.9892    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    2.1297    0.9549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531    1.3415    0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8692   -0.3887    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438    0.1899   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873   -2.0278   -0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227   -1.1343   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -1.5992    0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316   -1.5376   -0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    2.0559    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3837    0.4353   -0.3322 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