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
   -2.3749    0.5390    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802    0.2500    0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601   -1.0250   -0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9093   -1.1368   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636    0.2372    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    0.6086    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718    1.0479    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    2.2603    0.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.3507   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7569   -0.1985    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467    1.5818    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467   -0.9237   -1.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0945   -1.8795   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4397   -1.5861   -1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -1.7269    0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481   -0.0476   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    1.6485    0.3994 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