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
    3.5507   -0.6087   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -0.5690   -0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    0.0258    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    0.5084    1.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    0.0610    0.1498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    0.6501    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3367    0.2804    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917    0.2036   -0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469   -0.4121   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545   -1.2173   -1.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -0.1843    0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2390   -1.0357   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470   -1.0009   -1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    1.7606    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.3521    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215   -0.7318    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0524    1.0649    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -0.3862   -1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1218    1.2392   -1.1842 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