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
   -2.4287    0.3328   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    0.0442   -0.1533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -1.1846    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0426   -0.9392    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    0.3781   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5265    0.9384   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651    0.8856   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    1.9059   -1.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157    1.4388   -0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9115    0.0300   -1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9575   -0.1130    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -1.4286    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616   -2.0288   -0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -1.7405   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   -0.8727    1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    0.4469    0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    1.9068   -0.6168 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