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
   -2.4109    0.5398    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    0.1795   -0.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4840   -1.1675   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -1.1173    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    0.2928    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    0.7169    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.0404   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    2.2730   -0.4156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5211    1.1240    1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    1.2231   -0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9924   -0.3786    0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -1.4651   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.8543    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276   -1.7997   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -1.4128    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    0.0424    0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    1.7635   -0.1074 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