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
   -3.5060    0.2061   -0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072   -0.0711   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343    0.7122   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2858    1.7022   -1.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    0.4123   -0.2993 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4578   -0.7069    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   -1.1217    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    0.2535   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    1.0699   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4813    2.1821   -1.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3584   -0.3765   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6977    1.0571   -1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1746   -0.9176    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594   -1.5249    0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -0.3338    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -1.8028    0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -1.4657   -0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    0.4954    1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3814    0.2302   -0.6973 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