3-ethynyl-1,3-oxazolidin-2-one

C5H5NO2 — CID 12024497

IUPAC3-ethynyl-1,3-oxazolidin-2-one
SMILESC#CN1CCOC1=O
InChIInChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h1H,3-4H2
InChIKeyAJVLXBJUTRAFRL-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.03
Rot. Bonds

About 3-ethynyl-1,3-oxazolidin-2-one

3-ethynyl-1,3-oxazolidin-2-one (PubChem CID 12024497) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 3-ethynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethynyl-1,3-oxazolidin-2-one
PubChem CID12024497
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name3-ethynyl-1,3-oxazolidin-2-one
SMILESC#CN1CCOC1=O
InChIInChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h1H,3-4H2
InChIKeyAJVLXBJUTRAFRL-UHFFFAOYSA-N
XLogP0.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-(But-3-yn-1-yl)-1,3-oxazolidin-2-one
CID 11607926
2-Oxo-3-oxazolidinecarbonyl chloride
CID 20544459
2-Oxazolidinone, 3-(2-propynyl)-
CID 11542783
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
Iodooxazolidinone
CID 17894312
2-Oxo-1,3-oxazolidine-3-carboxylic acid
CID 18353396
Chloromethyl oxazolidinone
CID 18802127
N-formyl-oxazolidinone
CID 19736925
Hydroxymethyl oxazolidinone
CID 21585222
3-(4-Cyano)oxazolidin-2-one
CID 118487455

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethynyl-1,3-oxazolidin-2-one (CID 12024497) is 3-ethynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethynyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethynyl-1,3-oxazolidin-2-one is C#CN1CCOC1=O.
What is the InChIKey of 3-ethynyl-1,3-oxazolidin-2-one?
The InChIKey is AJVLXBJUTRAFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h1H,3-4H2.
What are the key properties of 3-ethynyl-1,3-oxazolidin-2-one?
3-ethynyl-1,3-oxazolidin-2-one has a molecular weight of 111.10 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12024497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).