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
    3.5449    0.2509   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -0.0203    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    0.1542   -0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057    0.5764   -1.9393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1136   -0.1680   -0.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -0.6533    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442    0.0736    0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4091    0.3209   -0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -0.0635   -1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -0.2733   -2.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.6116   -0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    0.0974    0.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -0.3817    1.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -0.4819    1.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -1.7496    0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    1.0604    1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710   -0.5117    1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753    1.4153   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3219   -0.2573   -0.6465 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