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
    2.4075    0.3775    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296    0.0648   -0.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.2359    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489   -1.0728   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    0.4026   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    1.0005    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.0062   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    2.1717   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647    0.9726   -0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    1.0318    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -0.5409    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -1.9221   -0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -1.6406    1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -1.5551    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4162   -1.5494   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630    0.4182    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    2.0709    0.0270 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