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
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
3.5769 0.3961 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.3849 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3378 -0.2902 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7841 -0.8689 1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0532 -0.3063 0.0686 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 -0.9525 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1913 0.0853 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 0.3695 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 0.2745 -1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2665 0.6565 -2.0996 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9368 -0.1048 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2824 0.8916 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 0.8945 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7308 -1.1138 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 -1.8665 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1483 -0.3531 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 0.9936 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7342 -0.4542 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6337 1.3638 -0.8703 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