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
    3.4987   -0.0874   -0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    0.3309   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2847   -0.5578   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -1.7353    0.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -0.1123    0.1736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782   -0.9525    0.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599   -0.5144   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490    0.9884    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502    1.1480   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0175    2.2127   -0.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    0.5795   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7609   -1.1265   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    1.3707   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2808   -0.6061    1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -2.0193    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048   -0.9225    0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9776   -0.8079   -1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571    1.3085    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    1.5032   -0.8324 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