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
   -2.3054    0.7569    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411    0.2736    0.2445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953   -0.7213    1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -1.2796    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305   -0.0204   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    0.2950   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    0.7791   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1122    1.7480   -1.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2729    1.7719    0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9189    0.0392    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6439    0.9301   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -0.3126    1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0015   -1.5201    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -1.7477    0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091   -1.9129   -0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151   -0.3293   -0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    1.2502   -1.4371 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