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
    2.8685   -0.1449    1.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    0.6852    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    0.8183   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    1.8313   -1.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    0.0759   -0.4594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    0.4317   -1.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1861    0.3171   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922   -1.0026    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510   -1.0994    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -2.0790    0.5082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275   -0.0106    1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3801   -0.9489    1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    1.4431   -0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596    1.4270   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502   -0.3732   -1.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    1.1404    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    0.3508   -0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -1.0369    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535   -1.8253    0.0290 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