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
    2.4268    0.1100   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    0.0212   -0.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3427   -1.0267    0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.9653    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3192    0.4424   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993    1.1989   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088    0.8568   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745    1.8080   -1.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385    0.8796   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8884    0.3539    0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719   -0.8752   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544   -0.8479    1.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035   -2.0097    0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -1.6867   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -1.2348    1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033    2.2047   -0.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2948    0.7706    0.3685 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