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
    3.5064   -0.2508    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    0.2253    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111   -0.6682    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074   -1.9091    0.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725   -0.2004   -0.2078 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396   -1.0511   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934   -0.1679    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.1442   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    1.1074   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043    2.0779   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075   -1.2839    0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580    0.4247    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    1.2702    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -1.1590   -1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -2.0189    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -0.5338    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -0.0662    1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3936    2.0109    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4841    1.0488   -1.4488 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