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
    2.3728    0.6481   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    0.1513   -0.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.1971    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.0127    0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    0.2306   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129    0.6168   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1524    0.8920   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130    1.9607   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841    1.7096   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    0.6313    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.0043   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -1.8266   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -1.7022    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7873   -0.8112    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037   -1.8868    0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4350    0.0475    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436    1.5446   -0.6759 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