(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one

C4H6INO2 — CID 14840496

IUPAC(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CI)CO1
InChIInChI=1S/C4H6INO2/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyGSGUMEIFDXIUBW-GSVOUGTGSA-N
MW227.00 g/mol
LogP0.53
Rot. Bonds1

About (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one

(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one (PubChem CID 14840496) has the molecular formula C4H6INO2 and a molecular weight of 227.00 g/mol. Its IUPAC name is (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one
PubChem CID14840496
Molecular FormulaC4H6INO2
Molecular Weight227.00 g/mol
Exact Mass226.94
IUPAC Name(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CI)CO1
InChIInChI=1S/C4H6INO2/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyGSGUMEIFDXIUBW-GSVOUGTGSA-N
XLogP0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.00
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one (CID 14840496) is (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](CI)CO1.
What is the InChIKey of (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one?
The InChIKey is GSGUMEIFDXIUBW-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H6INO2/c5-1-3-2-8-4(7)6-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one?
(4S)-4-(iodomethyl)-1,3-oxazolidin-2-one has a molecular weight of 227.00 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(iodomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14840496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).