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
   -2.2894    0.8266   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    0.3160   -0.2064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061   -1.0803   -0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847   -1.1634    0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607    0.1093    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627    0.3263    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.0235   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4495    2.2679   -0.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553    1.6762    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0260    0.0452    0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5329    1.0855   -1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.3630   -1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218   -1.6651    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443   -2.0498    0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5555   -1.1886    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946    1.2814   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689   -0.4478    0.4340 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