(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one

C11H19NO3 — CID 10921842

IUPAC(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESC/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1CO
InChIInChI=1S/C11H19NO3/c1-4-5-6-8(2)10-9(7-13)12(3)11(14)15-10/h4-5,8-10,13H,6-7H2,1-3H3/b5-4+/t8-,9-,10-/m1/s1
InChIKeyYFVOEQILPADPFI-OXFBJLKCSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds4

About (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one

(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 10921842) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID10921842
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESC/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1CO
InChIInChI=1S/C11H19NO3/c1-4-5-6-8(2)10-9(7-13)12(3)11(14)15-10/h4-5,8-10,13H,6-7H2,1-3H3/b5-4+/t8-,9-,10-/m1/s1
InChIKeyYFVOEQILPADPFI-OXFBJLKCSA-N
XLogP1.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one (CID 10921842) is (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one is C/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1CO.
What is the InChIKey of (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is YFVOEQILPADPFI-OXFBJLKCSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-8(2)10-9(7-13)12(3)11(14)15-10/h4-5,8-10,13H,6-7H2,1-3H3/b5-4+/t8-,9-,10-/m1/s1.
What are the key properties of (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
(4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(E,2R)-hex-4-en-2-yl]-4-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10921842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).