Monomers
3-Vinyloxazolidin-2-one
Identifiers
IUPAC name
3-ethenyl-1,3-oxazolidin-2-one
InchI
InChI=1S/C5H7NO2/c1-2-6-3-4-8-5(6)7/h2H,1,3-4H2
InchI Key
VUEZBQJWLDBIDE-UHFFFAOYSA-N
SMILES
C=CN1CCOC1=O
Canonical SMILES
C=CN1CCOC1=O
Isomeric SMILES
C=CN1CCOC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7NO2
Heavy Atom Count
8
Molecular Weight
113.116
Exact Molecular Weight
113.0477
Valence Electrons
44
Radical Electrons
0
tPSA
29.54
MolLogP
0.5821
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
15 15 0 0 0 0 0 0 0 0999 V2000
2.1466 0.6066 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6782 0.1064 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2930 -0.2238 -0.3265 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7301 -0.0800 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 0.1350 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7533 -0.4824 -1.3752 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3899 -0.7690 -1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1586 -1.4276 -2.3962 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4949 0.7741 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1881 0.8573 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -0.0335 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5130 0.7663 1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8804 -1.0442 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2255 1.2099 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8614 -0.3951 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers