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
    3.6197   -0.0533   -0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.2225   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489   -0.4024   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4764   -1.2376   -1.5723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -0.1460   -0.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465   -0.7925   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128    0.0807   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444    0.5786    0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734    0.7212    0.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389    1.4910    1.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866    0.4038   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543   -0.7603   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689    0.9289    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486   -1.8283   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0944   -0.8390   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3227   -0.5478   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.9178   -1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508   -0.2532    1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596    1.5161    1.1387 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