(5S)-5-but-3-enyl-1,3-oxazolidin-2-one

C7H11NO2 — CID 89405758

IUPAC(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@H]1CNC(=O)O1
InChIInChI=1S/C7H11NO2/c1-2-3-4-6-5-8-7(9)10-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m0/s1
InChIKeyHQIGXZGBQDDOEX-LURJTMIESA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds3

About (5S)-5-but-3-enyl-1,3-oxazolidin-2-one

(5S)-5-but-3-enyl-1,3-oxazolidin-2-one (PubChem CID 89405758) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5S)-5-but-3-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
PubChem CID89405758
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
SMILESC=CCC[C@H]1CNC(=O)O1
InChIInChI=1S/C7H11NO2/c1-2-3-4-6-5-8-7(9)10-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m0/s1
InChIKeyHQIGXZGBQDDOEX-LURJTMIESA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748
5-ethenyl-1,3-oxazolidin-2-one
CID 55286544
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 154193468
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67130959
5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67351430
(5R)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 94919826
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 143016675

Frequently Asked Questions

What is the IUPAC name of (5S)-5-but-3-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-but-3-enyl-1,3-oxazolidin-2-one (CID 89405758) is (5S)-5-but-3-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-but-3-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-but-3-enyl-1,3-oxazolidin-2-one is C=CCC[C@H]1CNC(=O)O1.
What is the InChIKey of (5S)-5-but-3-enyl-1,3-oxazolidin-2-one?
The InChIKey is HQIGXZGBQDDOEX-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-6-5-8-7(9)10-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m0/s1.
What are the key properties of (5S)-5-but-3-enyl-1,3-oxazolidin-2-one?
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-but-3-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89405758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).