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
    2.8908   -0.7695   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467    0.4757   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.0062   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    2.3237   -0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.3956    0.2237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903    1.1358    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255    0.1196   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -1.1570   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437   -0.9329    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.7286    1.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -1.5572   -0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9492   -1.0833   -0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049    1.1965   -0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048    1.6599    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638    1.8796   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219    0.3375   -0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204   -0.0326    0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546   -1.2286   -1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -2.0405    0.0573 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