3,4-dihydro-2H-1,4-oxazin-5-ylmethanol

C5H9NO2 — CID 144890248

IUPAC3,4-dihydro-2H-1,4-oxazin-5-ylmethanol
SMILESOCC1=COCCN1
InChIInChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h4,6-7H,1-3H2
InChIKeyMTHYMXDIMWYWBV-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.56
Rot. Bonds1

About 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol

3,4-dihydro-2H-1,4-oxazin-5-ylmethanol (PubChem CID 144890248) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-oxazin-5-ylmethanol
PubChem CID144890248
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3,4-dihydro-2H-1,4-oxazin-5-ylmethanol
SMILESOCC1=COCCN1
InChIInChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h4,6-7H,1-3H2
InChIKeyMTHYMXDIMWYWBV-UHFFFAOYSA-N
XLogP-0.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol?
The IUPAC name of 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol (CID 144890248) is 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol.
What is the SMILES notation for 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol?
The canonical SMILES for 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol is OCC1=COCCN1.
What is the InChIKey of 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol?
The InChIKey is MTHYMXDIMWYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h4,6-7H,1-3H2.
What are the key properties of 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol?
3,4-dihydro-2H-1,4-oxazin-5-ylmethanol has a molecular weight of 115.13 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-oxazin-5-ylmethanol is sourced from PubChem (CID 144890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).