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
    3.5255   -0.3555   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2847   -0.1418    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891   -0.2252   -0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -0.5075   -2.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    0.0102   -0.4367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5512    0.3483    0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -0.1032    0.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377    0.3737   -0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816   -0.0472   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403   -0.3839   -2.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586   -0.3026    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331   -0.6015   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.0998    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772   -0.1925    1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    1.4437    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025    0.3593    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -1.2125    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3894   -0.0560   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468    1.4943   -0.3974 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