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
    2.3682    0.4050    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826    0.1059    0.1286 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -1.2080   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184   -1.0894   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    0.3655   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5074    0.9032   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670    1.0521    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    2.2906    0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603    1.3566    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706   -0.4474    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.5709   -0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -1.5587   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473   -1.9151    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803   -1.4858   -1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -1.6363    0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815    0.3181   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411    1.9729   -0.2892 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