5,6-dihydro-4H-oxazin-3-ylmethanol

C5H9NO2 — CID 12528399

IUPAC5,6-dihydro-4H-oxazin-3-ylmethanol
SMILESOCC1=NOCCC1
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-8-6-5/h7H,1-4H2
InChIKeyKUHDBWRMZOYZEB-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.15
Rot. Bonds1

About 5,6-dihydro-4H-oxazin-3-ylmethanol

5,6-dihydro-4H-oxazin-3-ylmethanol (PubChem CID 12528399) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5,6-dihydro-4H-oxazin-3-ylmethanol.

Molecular Properties

Compound Name5,6-dihydro-4H-oxazin-3-ylmethanol
PubChem CID12528399
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5,6-dihydro-4H-oxazin-3-ylmethanol
SMILESOCC1=NOCCC1
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-8-6-5/h7H,1-4H2
InChIKeyKUHDBWRMZOYZEB-UHFFFAOYSA-N
XLogP0.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-oxazin-3-ylmethanol?
The IUPAC name of 5,6-dihydro-4H-oxazin-3-ylmethanol (CID 12528399) is 5,6-dihydro-4H-oxazin-3-ylmethanol.
What is the SMILES notation for 5,6-dihydro-4H-oxazin-3-ylmethanol?
The canonical SMILES for 5,6-dihydro-4H-oxazin-3-ylmethanol is OCC1=NOCCC1.
What is the InChIKey of 5,6-dihydro-4H-oxazin-3-ylmethanol?
The InChIKey is KUHDBWRMZOYZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-4-5-2-1-3-8-6-5/h7H,1-4H2.
What are the key properties of 5,6-dihydro-4H-oxazin-3-ylmethanol?
5,6-dihydro-4H-oxazin-3-ylmethanol has a molecular weight of 115.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-oxazin-3-ylmethanol is sourced from PubChem (CID 12528399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).