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
   -2.4178    0.3943    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287    0.0856   -0.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163   -1.2138   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -1.0796    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128    0.3892    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964    0.9421    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281    1.0283   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970    2.2434   -0.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    1.4735    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -0.0032    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077   -0.0401   -0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9066   -1.9601    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312   -1.5649   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126   -1.4960   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -1.5561    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747    0.3448    0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165    2.0125    0.1940 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