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
   -2.3530    0.7798   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.1815   -0.0795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292   -0.8295    0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744   -0.6979    0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -0.0071   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    0.1420   -0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    0.4461   -0.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    0.9985   -2.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    1.8326    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879    0.7779   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9878    0.2057    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -1.8486    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -0.5879    1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383   -0.0705    1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3944   -1.7176    0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.6524   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -0.2574   -0.3445 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