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
   -2.3308    0.7460   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825    0.1956   -0.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582   -1.1817   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -1.0177    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    0.1629   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557    0.4237   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    0.9181   -0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2562    2.0204   -1.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437    1.0201   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509    1.6780    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760    0.0190    0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -1.6987   -1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044   -1.7001    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074   -1.9164    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -0.7417    1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096    1.3054   -0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3849   -0.2330    0.3189 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