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
   -2.3712    0.5134    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667    0.2111    0.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471   -1.0886    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -1.1414   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    0.2731   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5839    0.6502   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    1.0613   -0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    2.2685   -0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963   -0.4030   -0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794    1.2484   -0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7151    0.8791    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.9219    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783   -1.0410    1.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -1.4193   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261   -1.7677    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4154   -0.0247   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.7025   -0.1038 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