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
    3.4641   -0.5976   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -0.5668   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    0.1019    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327    0.6357    1.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.1364    0.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343   -0.4532   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    0.3945   -0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    0.4398    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.7511    1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775    1.4193    2.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878   -0.1433    0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997   -1.0888   -0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7195   -1.0287   -1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1522   -0.3613   -1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645   -1.5020   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.1064   -1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123    1.3738   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -0.5891    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343    1.1848    0.7359 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