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
    2.4189   -0.3317   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258   -0.0347    0.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    1.2089    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    1.0440   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.3718   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873   -0.9295    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -1.0366    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590   -2.2918    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267   -0.8845   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0067    0.6145   -0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626   -0.9596    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452    1.2835    1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066    2.0941   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    1.7496    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8268    1.1048   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6261   -1.9707    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -0.2883    0.0835 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