(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one

C7H9NO2 — CID 14941759

IUPAC(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CC[C@@H]1COC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1
InChIKeyARAYTXKRBVLNPZ-ZCFIWIBFSA-N
MW139.15 g/mol
LogP0.83
Rot. Bonds2

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

(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one (PubChem CID 14941759) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
PubChem CID14941759
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CC[C@@H]1COC(=O)N1
InChIInChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1
InChIKeyARAYTXKRBVLNPZ-ZCFIWIBFSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one (CID 14941759) is (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one is C=C=CC[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one?
The InChIKey is ARAYTXKRBVLNPZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-4-6-5-10-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one?
(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14941759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).