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
    2.6229    0.3506    1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282   -0.3665    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -0.7111   -0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5344   -1.4428   -1.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -0.3589   -0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576    0.3937    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    0.3584    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    0.3042   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -0.7108   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1658   -1.6498   -2.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303    0.8082    1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    0.5134    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091   -0.7743   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.4686    0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074   -0.0988    1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -0.6216    0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.2174    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    1.3116   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1419    0.0086   -1.2816 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