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
    3.5851    0.0456   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941    0.3169   -0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997   -0.5138    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923   -1.4895    1.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -0.2144    0.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   -1.0102    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066   -0.3135    0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294    0.9932   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660    0.8094   -0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957    1.4600   -1.5593 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670   -0.7900    0.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2879    0.6827   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893    1.1545   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -1.0725    1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -2.0242    0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527   -0.2265    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -0.8879   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    1.7699    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    1.3104   -0.8922 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