lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate

C5H6LiNO3 — CID 135076430

IUPAClithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
SMILESC=C([O-])N1CCOC1=O.[Li+]
InChIInChI=1S/C5H7NO3.Li/c1-4(7)6-2-3-9-5(6)8;/h7H,1-3H2;/q;+1/p-1
InChIKeyDDJBGMLRTFPPJH-UHFFFAOYSA-M
MW135.05 g/mol
LogP-3.73
Rot. Bonds1

About lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate

lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate (PubChem CID 135076430) has the molecular formula C5H6LiNO3 and a molecular weight of 135.05 g/mol. Its IUPAC name is lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate.

Molecular Properties

Compound Namelithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
PubChem CID135076430
Molecular FormulaC5H6LiNO3
Molecular Weight135.05 g/mol
Exact Mass135.05
IUPAC Namelithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
SMILESC=C([O-])N1CCOC1=O.[Li+]
InChIInChI=1S/C5H7NO3.Li/c1-4(7)6-2-3-9-5(6)8;/h7H,1-3H2;/q;+1/p-1
InChIKeyDDJBGMLRTFPPJH-UHFFFAOYSA-M
XLogP-3.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.05
LogP ≤ 5-3.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
N-vinyl-2-oxazolidinone
CID 77952
3-Propadienyl-1,3-oxazolidin-2-one
CID 45087238
3-(1-Fluoroethenyl)-1,3-oxazolidin-2-one
CID 146636667
3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one
CID 24938545
3-Propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten
CID 135012900
3-Ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one
CID 23198189
CID 57639718
CID 57639718
CID 59347994
CID 59347994
2-Methylidene-1,3-oxazolidine-3-carbaldehyde
CID 88935064
3-(2-Methoxyethenyl)-1,3-oxazolidin-2-one
CID 152171204
Ethenyl 1,3-oxazolidine-3-carboxylate
CID 153699182

Frequently Asked Questions

What is the IUPAC name of lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate?
The IUPAC name of lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate (CID 135076430) is lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate.
What is the SMILES notation for lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate?
The canonical SMILES for lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate is C=C([O-])N1CCOC1=O.[Li+].
What is the InChIKey of lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate?
The InChIKey is DDJBGMLRTFPPJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.Li/c1-4(7)6-2-3-9-5(6)8;/h7H,1-3H2;/q;+1/p-1.
What are the key properties of lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate?
lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate has a molecular weight of 135.05 g/mol, XLogP of -3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate is sourced from PubChem (CID 135076430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).