(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride

C7H14ClNO2 — CID 112756865

IUPAC(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
SMILESC1CO[C@@H]2COCC[C@@H]2N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-9-5-7-6(1)8-2-4-10-7;/h6-8H,1-5H2;1H/t6-,7+;/m0./s1
InChIKeyPRYVULQXGABNLD-UOERWJHTSA-N
MW179.65 g/mol
LogP0.19
Rot. Bonds

About (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride

(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride (PubChem CID 112756865) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
PubChem CID112756865
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
SMILESC1CO[C@@H]2COCC[C@@H]2N1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-9-5-7-6(1)8-2-4-10-7;/h6-8H,1-5H2;1H/t6-,7+;/m0./s1
InChIKeyPRYVULQXGABNLD-UOERWJHTSA-N
XLogP0.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride with MolForge

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Related Compounds

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3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
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2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
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(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
(4aR,8aR)-1,2,3,4a,5,7,8,8a-octahydrothiopyrano[3,4-b][1,4]oxazine 6,6-dioxide
CID 178199509
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride?
The IUPAC name of (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride (CID 112756865) is (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride.
What is the SMILES notation for (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride?
The canonical SMILES for (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride is C1CO[C@@H]2COCC[C@@H]2N1.Cl.
What is the InChIKey of (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride?
The InChIKey is PRYVULQXGABNLD-UOERWJHTSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-3-9-5-7-6(1)8-2-4-10-7;/h6-8H,1-5H2;1H/t6-,7+;/m0./s1.
What are the key properties of (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride?
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 112756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).