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
   -2.3400    0.6825   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912    0.2134   -0.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -1.1732   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -1.2000   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    0.2206   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.6060   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    1.0050   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038    2.2260    0.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340    1.0210    0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.1143   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424    1.5323   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -1.7283    0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675   -1.5210   -1.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924   -1.7525    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.5940   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -0.0748   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8462    1.6512   -0.4721 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