(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one

C9H15NO3 — CID 118432396

IUPAC(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)[C@H]1OC(=O)N[C@@H]1CCO
InChIInChI=1S/C9H15NO3/c1-3-6(2)8-7(4-5-11)10-9(12)13-8/h3,6-8,11H,1,4-5H2,2H3,(H,10,12)/t6?,7-,8-/m1/s1
InChIKeyKQTZBAQZVLWAHW-SPDVFEMOSA-N
MW185.22 g/mol
LogP0.67
Rot. Bonds4

About (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one

(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 118432396) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID118432396
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)[C@H]1OC(=O)N[C@@H]1CCO
InChIInChI=1S/C9H15NO3/c1-3-6(2)8-7(4-5-11)10-9(12)13-8/h3,6-8,11H,1,4-5H2,2H3,(H,10,12)/t6?,7-,8-/m1/s1
InChIKeyKQTZBAQZVLWAHW-SPDVFEMOSA-N
XLogP0.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 118432396) is (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one is C=CC(C)[C@H]1OC(=O)N[C@@H]1CCO.
What is the InChIKey of (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is KQTZBAQZVLWAHW-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-6(2)8-7(4-5-11)10-9(12)13-8/h3,6-8,11H,1,4-5H2,2H3,(H,10,12)/t6?,7-,8-/m1/s1.
What are the key properties of (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118432396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).