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
   -0.7611   -2.0898    2.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6906   -1.1422    1.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171   -1.1423    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465   -2.1131    0.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3698   -0.1016   -0.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    1.0395   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3132    1.6704   -1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8698    1.0231   -2.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -0.0076   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652   -0.6738   -1.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -2.0594    3.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677   -2.9051    2.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949   -0.3262    1.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562    0.6247   -0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    1.7329    0.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132    1.4102   -2.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577    2.7715   -1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    0.5020   -3.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619    1.7867   -2.3909 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