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
   -2.3625   -0.6594   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707   -0.2762   -0.1217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916    1.0372   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7813    1.2219    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -0.1625    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286   -0.4985    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -1.0333    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -2.2500    0.5245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343   -1.6757    0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382   -0.6325   -1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412    0.0622    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986    0.9600   -1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    1.8336   -0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    1.9278   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045    1.3873    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565    0.2911    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -1.5330   -0.0544 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