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
    2.4246    0.3656   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    0.1926   -0.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351   -0.8021    0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9014   -1.1091    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3325    0.2360   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863    0.6422   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855    0.9197   -0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0324    1.9974   -1.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901    1.0220   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -0.6320   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525    0.8981    0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -1.7052    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2349   -0.3342    1.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7224   -1.8088   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -1.5291    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    0.0106   -0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308    1.6362   -0.6646 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