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
    2.4259    0.2928    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    0.0688    0.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -1.2337    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   -1.0122   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    0.4327   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295    1.0541   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    1.0659   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844    2.3051   -0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    0.1761    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -0.4407   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    1.2925   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -1.7691    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -1.8368   -0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -1.4623    0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591   -1.5568   -0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3510    0.4935   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316    2.1301   -0.4616 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