1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine

C7H11NO2 — CID 154302272

IUPAC1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine
SMILESC1=C2NCCOC2COC1
InChIInChI=1S/C7H11NO2/c1-3-9-5-7-6(1)8-2-4-10-7/h1,7-8H,2-5H2
InChIKeyKBWZVFYDICWMOV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.11
Rot. Bonds

About 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine

1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine (PubChem CID 154302272) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine
PubChem CID154302272
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine
SMILESC1=C2NCCOC2COC1
InChIInChI=1S/C7H11NO2/c1-3-9-5-7-6(1)8-2-4-10-7/h1,7-8H,2-5H2
InChIKeyKBWZVFYDICWMOV-UHFFFAOYSA-N
XLogP-0.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine?
The IUPAC name of 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine (CID 154302272) is 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine.
What is the SMILES notation for 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine?
The canonical SMILES for 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine is C1=C2NCCOC2COC1.
What is the InChIKey of 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine?
The InChIKey is KBWZVFYDICWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-9-5-7-6(1)8-2-4-10-7/h1,7-8H,2-5H2.
What are the key properties of 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine?
1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine has a molecular weight of 141.17 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a,5,7-hexahydropyrano[3,4-b][1,4]oxazine is sourced from PubChem (CID 154302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).