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
   -2.3691   -0.4749   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -0.0181   -0.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165    1.0154    0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754    0.5204    1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3571   -0.1996   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.5017   -0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355   -0.4898   -0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226   -1.0855   -2.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.6676   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774    0.2603    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521   -1.4393    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095    1.9895    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804    1.1129    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231   -0.1352    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5711    1.3593    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -0.2189    0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.0273   -1.3545 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