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
    2.3901    0.5083   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.2152   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -1.0917   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823   -1.1319    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316    0.2919    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    0.7676    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0888    1.0287    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609    2.1819    0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.4836    0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -0.3468    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193    0.4332   -1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789   -1.8542    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954   -1.2123   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -1.5660   -0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111   -1.6845    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010    0.1507    0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008    1.8263    0.4613 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