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
   -2.3590    0.6530   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    0.2442    0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -1.1341    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -1.1084   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.2222   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    0.5105    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874    1.0721    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1906    2.3241    0.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922    1.0688    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290    1.3745   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850   -0.2340   -0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593   -1.3766    1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144   -1.7723   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902   -1.1525   -1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -1.9334   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9363    1.4908    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -0.2489    0.0861 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