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
   -2.2413    0.9935    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272    0.3941    0.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973   -1.0322    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757   -1.2442    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.0037   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174    0.1455   -0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    1.0234   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5465    2.2609   -0.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948    1.0261   -0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612    2.0203    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    0.4250    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -1.5441   -0.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -1.4011    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409   -2.1100   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -1.3926    1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -0.7049   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    1.1368   -0.9900 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