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
   -2.3728    0.4559   -0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    0.1502   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -1.0627    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117   -1.1714   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470    0.2492   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602    0.7659    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127    1.0190   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    2.2691   -0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -0.0149    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275    0.1457   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    1.5540   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -1.9501    0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121   -0.9536    1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -1.5583   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -1.8182    0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219    0.1083    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    1.8120    0.0307 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