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
    3.5812    0.2398   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3274    0.4395    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856   -0.2223   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123   -0.9784   -1.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -0.0658   -0.2072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562   -0.7122   -0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -0.2386   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790    0.1576    1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288    0.7437    0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    1.7386    1.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562   -0.4136   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.6947    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    1.0867    1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380   -0.4422   -2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735   -1.8264   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2065   -1.0218   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.6935   -0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983   -0.7775    1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    0.9046    1.5762 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