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
    2.3605   -0.5454   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -0.2067    0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    1.1505    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442    1.0500   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3575   -0.2569   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -0.6472    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1648   -1.0690    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -2.3050    0.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    0.1367   -0.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -1.5920   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476   -0.2734    0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    1.8848   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2615    1.4180    1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    1.8913   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    0.9588   -1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903   -1.6432    0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4150    0.0488   -0.0221 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