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
   -2.4395    0.2911   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105    0.0782   -0.0356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3707   -1.1690    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -1.0695   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    0.3843   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928    0.9685    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    1.0284   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113    2.2492   -0.6118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044   -0.3782    0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8144    0.1866   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057    1.3418    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416   -1.2023    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8981   -2.0468   -0.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -1.3665   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616   -1.6417    0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349    2.0170    0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512    0.3289    0.3254 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