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
   -2.3720    0.6085    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    0.2214    0.1476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -1.0465    0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581   -1.2188   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271    0.1859   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    0.6105   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271    1.0058   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0869    2.1960   -0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305   -0.1692   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905    1.6083   -0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    0.6776    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318   -0.9666    1.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257   -1.8960    0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892   -1.5414   -1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -1.8897    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.0479   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    1.6621   -0.2256 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