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
    1.3658   -3.2602   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630   -2.2187   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666   -0.8656   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -0.7104   -1.4025 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1791    0.2302   -0.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611    0.1898    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459    1.6177    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    2.3666   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146    1.5769   -0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    2.0818   -1.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374   -4.2574   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036   -3.1589   -1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -2.3810    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164   -0.3928    1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524   -0.2563    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    1.8730    1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514    1.8561    1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    2.2960   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5229    3.4132    0.1164 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