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
    2.4341   -0.3650    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284    0.0095   -0.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684    1.2235    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367    0.7601    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -0.3500   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -0.8189   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232   -0.7636   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -1.6667   -1.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635    0.5204    0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015   -0.9653   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5299   -1.0383    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    1.9818   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    1.6239    1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674    1.5855    0.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577    0.3343    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327   -1.6303   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926   -0.4407   -0.1744 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