(4R)-4-ethynyl-1,3-oxazolidin-2-one

C5H5NO2 — CID 71490383

IUPAC(4R)-4-ethynyl-1,3-oxazolidin-2-one
SMILESC#C[C@@H]1COC(=O)N1
InChIInChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,4H,3H2,(H,6,7)/t4-/m1/s1
InChIKeyDLZMXGHLIAPYCI-SCSAIBSYSA-N
MW111.10 g/mol
LogP-0.27
Rot. Bonds

About (4R)-4-ethynyl-1,3-oxazolidin-2-one

(4R)-4-ethynyl-1,3-oxazolidin-2-one (PubChem CID 71490383) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is (4R)-4-ethynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethynyl-1,3-oxazolidin-2-one
PubChem CID71490383
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name(4R)-4-ethynyl-1,3-oxazolidin-2-one
SMILESC#C[C@@H]1COC(=O)N1
InChIInChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,4H,3H2,(H,6,7)/t4-/m1/s1
InChIKeyDLZMXGHLIAPYCI-SCSAIBSYSA-N
XLogP-0.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-1-ynyl-1,3-oxazolidin-2-one
CID 130016019
(4R)-4-cyclohexyl-1,3-oxazolidin-2-one
CID 13347633
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
4-piperidin-1-yl-1,3-oxazolidin-2-one
CID 533526
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
CID 55288362
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 171036716
(4S)-4-(cyclopropylmethyl)-1,3-oxazolidin-2-one
CID 67033996
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethynyl-1,3-oxazolidin-2-one (CID 71490383) is (4R)-4-ethynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethynyl-1,3-oxazolidin-2-one is C#C[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
The InChIKey is DLZMXGHLIAPYCI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,4H,3H2,(H,6,7)/t4-/m1/s1.
What are the key properties of (4R)-4-ethynyl-1,3-oxazolidin-2-one?
(4R)-4-ethynyl-1,3-oxazolidin-2-one has a molecular weight of 111.10 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71490383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).