3-hexa-1,2-dienyl-1,3-oxazolidin-2-one

C9H13NO2 — CID 86054669

IUPAC3-hexa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESCCCC=C=CN1CCOC1=O
InChIInChI=1S/C9H13NO2/c1-2-3-4-5-6-10-7-8-12-9(10)11/h4,6H,2-3,7-8H2,1H3
InChIKeyZSFVSIYDQLDLGY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.91
Rot. Bonds3

About 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one

3-hexa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 86054669) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-hexa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID86054669
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-hexa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESCCCC=C=CN1CCOC1=O
InChIInChI=1S/C9H13NO2/c1-2-3-4-5-6-10-7-8-12-9(10)11/h4,6H,2-3,7-8H2,1H3
InChIKeyZSFVSIYDQLDLGY-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one (CID 86054669) is 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one is CCCC=C=CN1CCOC1=O.
What is the InChIKey of 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is ZSFVSIYDQLDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-4-5-6-10-7-8-12-9(10)11/h4,6H,2-3,7-8H2,1H3.
What are the key properties of 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one?
3-hexa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86054669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).