Monomers

2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-

Identifiers

IUPAC name
1-prop-2-enoylpyrrolidin-2-one
InchI
InChI=1S/C7H9NO2/c1-2-6(9)8-5-3-4-7(8)10/h2H,1,3-5H2
InchI Key
DGPVNNMFVYYVDF-UHFFFAOYSA-N
SMILES
C=CC(=O)N1CCCC1=O
Canonical SMILES
C=CC(=O)N1CCCC1=O
Isomeric SMILES
C=CC(=O)N1CCCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
H Bond Acceptors
2
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5987    0.2884   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    0.0521    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    0.3674   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896    0.8977   -1.7999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    0.1159   -0.4039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -0.4786    0.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829   -0.5702    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    0.1733   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.4085   -1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247    0.8070   -2.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699    0.0398    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    0.7366   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561   -0.3946    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.1083    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711   -1.5013    0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4041   -1.6374    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232   -0.1860    1.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016    1.1587   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -0.3856   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers