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
   -2.2931   -0.7115    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406   -0.2383    0.2389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874    1.1163   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362    0.9929   -0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781   -0.1340   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -0.3753    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613   -0.9678    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305   -2.1283    0.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139   -1.7590    0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -0.6434    1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153   -0.0603   -0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3698    1.5548   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    1.7028    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543    0.6828   -1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    1.8971   -0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    0.3085   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253   -1.2372    0.5823 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